SCHEMBL318949

SCHEMBL318949

COC(=O)c1sc(-c2ccccc2)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 4/20 0.63
LMNA P02545 2/20 0.63
HPGD P15428 4/20 0.60
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
IKBKB O14920 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL318158 0.89 PTPN1 (0.54) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL27029284 0.85 CDC7 (0.49) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL4192679 0.85 MAPT (0.70) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL9975800 0.83 MAPT (0.62) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL9825984 0.83 MAPT (0.65) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL977550 0.83 MAPT (0.65) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1724059 0.83 MAPT (0.65) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL4363783 0.82 MAPT (0.58) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL13355827 0.81 MAPT (0.63) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2158104 0.81 HPGD (0.64) MAPTKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9620722-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9620722-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 US disclosed
US-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 US disclosed
US-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 US disclosed
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2015-08-13 US disclosed
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2015-08-13 US disclosed
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9040690-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2015-05-26 US disclosed
US-9040690-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
CN-1795190-A Compounds and methods for the treatment or prevention of flavivirus infections VIROCHEM PHARMA INC (CA) 2006-06-28 CN disclosed
EP-1569929-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS Virochem Pharma Inc. (CA) 2005-09-07 EP disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US disclosed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 CN disclosed
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2005-01-13 US disclosed
WO-2004052885-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2004-06-24 WO disclosed
US-20040116509-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2004-06-17 US disclosed
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 EP disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 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 (3 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-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX MAPT 1641/4885KDM4E 1505/4885ALDH1A1 1591/4885
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof TPMT, CYP3A5, CYP11B2 MAPT 2512/4885KDM4E 2436/4885ALDH1A1 283/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS MAPT 1458/4885KDM4E 3220/4885ALDH1A1 684/4885

“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.