SCHEMBL2094786

SCHEMBL2094786

CNc1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
AHR P35869 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
KAT2B Q92831 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
IDO1 P14902 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL158831 0.78 EGFR (0.36) HTR2AHTR2CHTR2BCYP3A4MAPK1
SCHEMBL29661766 0.77 MEN1 (0.50) CYP3A4MAPK1ALDH1A1KDM4EPOLB
SCHEMBL5914549 0.77 MEN1 (0.50) CYP3A4MAPK1ALDH1A1KDM4EPOLB
SCHEMBL28668114 0.75 HTR2A (0.39) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL7554632 0.74 MAPT (0.41) CYP3A4MAPK1ALDH1A1KDM4EGAA
SCHEMBL2094784 0.74 CYP3A4 (0.40) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL20076869 0.73 HTR2A (0.35) HTR2AHTR2CHTR2BALDH1A1KDM4E
Ethane SCHEMBL28208240 0.73 CYP3A4 (0.56) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL29368277 0.72 CYP3A4 (0.62) CYP3A4MAPK1ALDH1A1AHRTDP1
SCHEMBL348089 0.72 CYP3A4 (0.62) CYP3A4MAPK1ALDH1A1AHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109789144-B Protein kinase modulators 马德拉医疗公司 2022-04-15 CN disclosed
WO-2019179928-A1 SUBSTITUTED SUCCINIMIDE-3-CARBOXAMIDES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 WO disclosed
CN-109789144-A Protein kinase modulators 南京盖特医药技术有限公司 2019-05-21 CN 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
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
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
WO-2003051123-A1 ISOTHIAZOLYLAMINOCARBONYL DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-06-26 WO 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 HTR2A 3100/4885HTR2C 2157/4885HTR2B 2556/4885

“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.