SCHEMBL506431

SCHEMBL506431

N#Cc1ccc(SCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 1.00
MAOA P21397 7/20 1.00
EGLN2 Q96KS0 1/20 0.51
CTSB P07858 1/20 0.50
SLC6A4 P31645 1/20 0.49
TSHR P16473 2/20 0.48
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL13319332 0.92 MAOB (0.86) MAOBMAOACTSBTSHRLMNA
SCHEMBL3889728 0.81 MAOB (0.70) MAOBMAOACYP2C9RAB9AL3MBTL1
SCHEMBL19869161 0.81 MAOB (0.69) MAOBMAOAEGLN2CTSBTSHR
SCHEMBL28514498 0.81 MAOB (0.70) MAOBMAOATSHRCYP2C9LMNA
SCHEMBL9123796 0.81 MAOB (0.70) MAOBMAOACYP2C9RAB9AL3MBTL1
SCHEMBL2489948 0.81 MAOB (0.70) MAOBMAOACYP2C9RAB9AL3MBTL1
SCHEMBL22572556 0.81 MAOB (0.70) MAOBMAOATSHRCYP2C9LMNA
SCHEMBL332623 0.79 MAOA (0.63) MAOBMAOASLC6A4CYP2C9LMNA
SCHEMBL34461889 0.78 MAOB (1.00) MAOBMAOAL3MBTL1
SCHEMBL2707482 0.78 MAOB (1.00) MAOBMAOAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8318761-B2 Substituted arylsulfonamides as antiviral agents AICURIS GMBH & CO. KG (DE) 2012-11-27 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-5972950-A ANTIINFLAMMATORY AND ANALGESIC AGENT LABORATORIES UPSA (FR) 1999-10-26 US disclosed
EP-0915850-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-05-19 EP disclosed
CN-1215396-A Diarylmethylidene furan derivatives, preparation method and therapeutic use thereof UNION PHARMA SCIENT APPL (FR) 1999-04-28 CN disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
US-5840753-A ANTIINFLAMMATORY AGENTS, ANALGESICS LABORATORIES UPSA (FR) 1998-11-24 US disclosed
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed
WO-1998015528-A1 NOVEL DIARYLMETHYLENE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USES THEREOF LABORATOIRES UPSA (FR) 1998-04-16 WO disclosed
WO-1998005643-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1998-02-12 WO disclosed
US-5686460-A ANTIINFLAMMATORY AGENTS, ANALGESICS LABORATOIRES UPSA (FR) 1997-11-11 US disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 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 (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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MAOB 194/4885MAOA 170/4885EGLN2 1857/4885

“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.