SCHEMBL2090656

SCHEMBL2090656

[c]1nc(Cc2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
LTB4R Q15722 2/20 0.38
PARP1 P09874 1/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2C9 P11712 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34

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
SCHEMBL8559345 0.83 TAAR1 (0.37) CALM1LTB4RALDH1A1HPGDCYP2D6
SCHEMBL330644 0.77 CALM1 (0.39) CALM1LTB4RPARP1ARALDH1A1
SCHEMBL557935 0.74 LTA4H (0.43) CALM1LTB4RALDH1A1HTTNPSR1
SCHEMBL21306242 0.68 CALM1 (0.61) CALM1LTB4RPARP1ARALDH1A1
SCHEMBL7095429 0.65 LTB4R (0.40) CALM1LTB4RPARP1ARALDH1A1
SCHEMBL2679612 0.64 CDK1 (0.42) CALM1LTB4RALDH1A1CYP2C9HPGD
SCHEMBL8781507 0.64 CALM1 (0.55) CALM1LTB4RPARP1ARALDH1A1
SCHEMBL794273 0.64 CALM1 (0.42) CALM1ALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL206040 0.64 CALM1 (0.42) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL1090652 0.64 LMNA (0.47) CALM1LTB4RALDH1A1HPGDLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-4965394-A REACTING PENTAFLUOROBENZONITRILE WITH A GRIGNARD REAGENT ICI AMERICAS INC. 1990-10-23 US disclosed
US-4866185-A HEAT RESISTANT POLYMERS; CHEMICAL INTERMEDIATES ICI AMERICAS INC. (US) 1989-09-12 US disclosed
US-4783547-A Polyfluoroaromatic nitriles ICI AMERICAS INC. (US) 1988-11-08 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 (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CALM1 3356/4885LTB4R 669/4885PARP1 2844/4885

“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.