SCHEMBL2096521

SCHEMBL2096521

COc1cccc(-c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.55
CLK4 Q9HAZ1 3/20 0.49
DYRK1A Q13627 1/20 0.49
QPCT Q16769 4/20 0.48
MAP4K4 O95819 1/20 0.48
XDH P47989 1/20 0.47
QPCTL Q9NXS2 3/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL28294180 0.88 MMP12 (0.69) MMP12CLK4QPCTMAP4K4QPCTL
SCHEMBL28292532 0.86 MMP12 (0.60) MMP12DYRK1AQPCTMAP4K4XDH
SCHEMBL2096516 0.85 QPCT (0.42) MMP12QPCTQPCTLALDH1A1
SCHEMBL225931 0.82 MMP12 (0.73) MMP12QPCTALDH1A1LMNATSHR
SCHEMBL29919790 0.82 MMP12 (0.73) MMP12QPCTALDH1A1LMNATSHR
SCHEMBL6008269 0.80 MAPT (0.50) MMP12QPCTXDHQPCTLALDH1A1
SCHEMBL31143361 0.80 MAPT (0.50) MMP12QPCTXDHQPCTLALDH1A1
SCHEMBL13373333 0.80 MAPK14 (0.47) QPCTMAP4K4QPCTL
SCHEMBL22418755 0.79 QPCT (0.47) CLK4DYRK1AQPCTQPCTLALDH1A1
SCHEMBL2457365 0.79 QPCT (0.50) CLK4DYRK1AQPCTQPCTLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107312008-B A kind of catalysis prepares the catalyst and system and method for benzimidazole simultaneously [2,1-b] quinoline -6- ketone derivatives 马鞍山市泰博化工科技有限公司 2019-08-27 CN disclosed
CN-106866543-B A method of benzimidazole compound is catalyzed and synthesized under microwave radiation in water phase 福建医科大学 2019-05-14 CN disclosed
CN-107312008-A A kind of easy catalysis prepares the catalyst and system and method for benzimidazole simultaneously ketone derivatives of [2,1 b] quinoline 6 马鞍山市泰博化工科技有限公司 2017-11-03 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

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 MMP12 3540/4885CLK4 3049/4885DYRK1A 1861/4885

“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.