SCHEMBL197089

SCHEMBL197089

CCCOc1[c]ccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
CSNK2A1 P68400 2/20 0.37
KMT2A Q03164 5/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 2/20 0.33
S1PR4 O95977 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL157423 0.85 TSHR (0.37) MAPTL3MBTL1KMT2AHTR2CHTR2B
SCHEMBL27587475 0.84 HTT (0.38) MAPTL3MBTL1HTR2CHTR2BS1PR4
SCHEMBL1569483 0.81 HTR2C (0.36) MAPTL3MBTL1HTR2CHTR2BS1PR4
SCHEMBL5096842 0.81 MAPT (0.50) MAPTHTR2CHTR2BKDM4EALDH1A1
SCHEMBL1569687 0.80 HTR2C (0.38) MAPTL3MBTL1KMT2AHTR2CHTR2B
SCHEMBL11850996 0.79 ALDH1A1 (0.36) MAPTL3MBTL1CSNK2A1KMT2AKDM4E
SCHEMBL1404367 0.79 KMT2A (0.41) MAPTL3MBTL1KMT2AKDM4EMEN1
SCHEMBL20564353 0.78 HPGD (0.41) MAPTL3MBTL1CSNK2A1KMT2AKDM4E
SCHEMBL5754501 0.78 HTR2C (0.35) MAPTCSNK2A1KMT2AHTR2CHTR2B
SCHEMBL27760963 0.78 HTT (0.33) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
JP-2012500216-A 2012-01-05 JP claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-05-18 US disclosed
CN-110003199-A Novel compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2019-07-12 CN disclosed
CN-107810175-A The alternatively cyclopropyl-methylamine of the HT of property 5 (2C) receptor stimulating agent 伊利诺伊大学评议会 2018-03-16 CN disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
CN-102459258-B Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives CEPHALON, INC. (US) 2015-11-25 CN disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
CN-1086696-C Sulphonylamino (thio) carbonyl compounds 拜尔公司 2002-06-26 CN disclosed
EP-0381434-A1 Process for producing optically active alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 EP 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 (5 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT MAPT 1533/4885L3MBTL1 700/4885PKM 4337/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885L3MBTL1 4677/4885PKM 2540/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT MAPT 1533/4885L3MBTL1 700/4885PKM 4337/4885
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING FABP5, FABP1, FABP4 MAPT 3579/4885L3MBTL1 4284/4885PKM 3269/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885L3MBTL1 4677/4885PKM 2540/4885

“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.