SCHEMBL4338798

SCHEMBL4338798

NC(=S)N(Cc1cccnc1)N=Cc1ccc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
CYP3A4 P08684 4/20 0.48
MAPT P10636 7/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 5/20 0.40
ALOX12 P18054 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2B6 P20813 1/20 0.40
POLB P06746 3/20 0.39
LDHA P00338 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4329107 0.91 ALDH1A1 (0.45) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4329428 0.88 CYP2A6 (0.43) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4331909 0.88 CYP2A6 (0.43) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4334594 0.88 MAPT (0.46) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4340661 0.88 CYP2A6 (0.42) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4333822 0.86 ALDH1A1 (0.50) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4323303 0.86 KDM4E (0.42) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4328924 0.86 SLC9A1 (0.42) CYP2A6CYP3A4MAPTLMNAMEN1
SCHEMBL4343237 0.86 SIGMAR1 (0.51) CYP2A6CYP3A4MAPTLMNAKDM4E
SCHEMBL4329296 0.84 G6PC1 (0.47) MAPTLMNAKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935235-A1 INDENOPHENANTHRENE BASED COMPOUNDS Merck Patent GmbH (DE) 2015-10-28 EP claimed
WO-2014094954-A1 INDENOPHENANTHRENE BASED COMPOUNDS MERCK PATENT GMBH (DE) 2014-06-26 WO claimed
CN-109503454-A A kind of preparation method of Benzazole compounds 北京化工大学 2019-03-22 CN disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
CN-102106847-B A kind of new liposoluble platinum class ejection preparation and its production and use Qilu Pharmaceutical Co.,Ltd. (CN) 2015-09-23 CN disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 US disclosed
CN-103351358-B Method for preparing 5-substituted-2-thiazolidinone UNIV BEIJING CHEMICAL 2015-05-27 CN disclosed
CN-102344398-B 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP 2015-02-25 CN disclosed
US-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2014-06-05 US disclosed
CN-102086171-B Oxime ester compound and photopolymerization initiator containing same ADEKA CORP 2014-05-14 CN disclosed
US-8697870-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-04-15 US disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 US disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed
CN-1058283-C Sulfopolymer/vanadium oxide antistatic compositions MINNESOTA MINING & MFG (US) 2000-11-08 CN disclosed
EP-0904272-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-31 EP disclosed
US-5686471-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents THE PROCTER & GAMBLE COMPANY (US) 1997-11-11 US disclosed
WO-1997028155-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
CN-1079493-A Sulfosalicylic polymer/vanadium oxide antistatic composition MINNESOTA MINING & MFG (US) 1993-12-15 CN 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-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CYP2A6 2812/4885CYP3A4 2607/4885MAPT 4769/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 CYP2A6 2818/4885CYP3A4 2581/4885MAPT 4779/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 CYP2A6 1753/4885CYP3A4 916/4885MAPT 3876/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CYP2A6 2827/4885CYP3A4 2490/4885MAPT 4806/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CYP2A6 2818/4885CYP3A4 2581/4885MAPT 4779/4885

“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.