SCHEMBL3606669

SCHEMBL3606669

CNc1cc(C(=O)O)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.53
▸ GAA P10253 7/20 0.53
▸ MAPT P10636 6/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ GFER P55789 4/20 0.53
▸ THRB P10828 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ PLEC Q15149 1/20 0.53
▸ HCAR3 P49019 2/20 0.51
▸ CDC25B P30305 2/20 0.50
▸ HSD17B10 Q99714 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ RCE1 Q9Y256 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ LNPEP Q9UIQ6 2/20 0.47

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
SCHEMBL14190740 0.85 PRKCI (0.53) PRKCIGAAKDM4EALDH1A1HSD17B10
SCHEMBL27111060 0.85 PRKCI (0.73) PRKCIMAPTNPC1RAB9AKMT2A
SCHEMBL1067119 0.85 PRKCI (0.73) PRKCIGAAMAPTKDM4EALDH1A1
SCHEMBL2248360 0.83 PRKCI (0.51) PRKCITHRBHPGDHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL18691959 0.83 PRKCI (0.71) PRKCIGAAMAPTKDM4EALDH1A1
SCHEMBL23346408 0.82 MAPT (0.65) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL2890452 0.82 HCAR3 (0.61) PRKCIGAAMAPTKDM4EALDH1A1
SCHEMBL15942895 0.81 HDAC1 (0.61) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL222734 0.81 KDM4E (0.59) PRKCIGAAMAPTKDM4EALDH1A1
SCHEMBL6187233 0.80 HCAR3 (0.55) GAAMAPTKDM4EALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232535-A A kind of preparation method of non-peptide batroxobin inhibitor dabigatran etcxilate 重庆奥舍生物化工有限公司 2019-01-18 — — CN claimed
CN-108864047-A A kind of preparation method of non-peptide batroxobin inhibitor dabigatran etcxilate 河南师范大学 2018-11-23 — — CN claimed
CN-109232535-A A kind of preparation method of non-peptide batroxobin inhibitor dabigatran etcxilate 重庆奥舍生物化工有限公司 2019-01-18 — — CN disclosed
CN-108864047-A A kind of preparation method of non-peptide batroxobin inhibitor dabigatran etcxilate 河南师范大学 2018-11-23 — — CN disclosed
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 — — US disclosed
EP-2751127-B1 CYCLOSPORIN DERIVATIVES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2016-07-27 — — EP disclosed
US-20140316104-A1 CYCLOSPORIN DERIVATIVES LEAD DISCOVER CENTER GMBH (DE) 2014-10-23 — — US disclosed
EP-2751127-A1 CYCLOSPORIN DERIVATIVES Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2014-07-09 — — EP disclosed
CN-103842372-A Cyclosporin derivatives MAX PLANCK GESELLSCHAFT 2014-06-04 — — CN disclosed
WO-2013030208-A1 CYCLOSPORIN DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-03-07 — — WO disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 — — WO disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 — — WO disclosed
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 — — US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 — — US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 — — US disclosed
EP-1117651-A1 NEW BIS-BENZIMIDAZOLES Bayer Aktiengesellschaft (DE) 2001-07-25 — — EP disclosed
CN-1251579-A Compound and compositions for treating diseases associated with serine protease, particularly tryptase, activity AXYS PHARM CORP (US) 2000-04-26 — — CN disclosed
WO-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 — — WO disclosed
WO-2000020401-A1 NEW BIS-BENZIMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-13 — — 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 (4 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 PRKCI 3615/4885GAA 69/4885MAPT 2104/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 PRKCI 287/4885GAA 3921/4885MAPT 1863/4885
US-20140316104-A1 CYCLOSPORIN DERIVATIVES CHP1, RYR2, CANX PRKCI 1278/4885GAA 3679/4885MAPT 1585/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 PRKCI 2660/4885GAA 181/4885MAPT 2289/4885

“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.

Send feedback