SCHEMBL2056342

SCHEMBL2056342

CCc1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 3/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
GFER P55789 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.54
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
CACNA1G O43497 1/20 0.47
CACNA1B Q00975 1/20 0.47
CD274 Q9NZQ7 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18551806 0.82 CD274 (0.67) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL19568041 0.82 ALOX5 (0.51) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL11621135 0.82 ALDH1A1 (0.65) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL10050008 0.82 ALDH1A1 (0.57) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL15827525 0.80 ALDH1A1 (0.54) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL18015808 0.80 RPA1 (0.55) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL5536394 0.80 ALDH1A1 (0.62) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL11505498 0.80 CYP3A4 (0.66) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL7977954 0.80 ALDH1A1 (0.73) ALDH1A1NPSR1KDM4EHTTHPGD
SCHEMBL9970929 0.80 ALDH1A1 (0.56) ALDH1A1NPSR1KDM4EHPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 ALDH1A1 1934/4885NPSR1 196/4885KDM4E 3062/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ALDH1A1 451/4885NPSR1 558/4885KDM4E 3395/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A ALDH1A1 848/4885NPSR1 70/4885KDM4E 4597/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885NPSR1 202/4885KDM4E 4578/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 ALDH1A1 486/4885NPSR1 1558/4885KDM4E 3617/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1032/4885NPSR1 194/4885KDM4E 3410/4885
US-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB ALDH1A1 2734/4885NPSR1 1338/4885KDM4E 2752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.