Sugi Predict

Sugi Predict / Compounds / SCHEMBL507156

SCHEMBL507156

SCHEMBL507156

CCSc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.55
▸ MAOA P21397 10/20 0.55
▸ CYP2A6 P11509 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ LOXL2 Q9Y4K0 2/20 0.43
▸ SLC6A4 P31645 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41

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
SCHEMBL1017349 0.83 MAOB (0.59) MAOBMAOACYP2A6ALDH1A1LOXL2
SCHEMBL346860 0.80 SLC6A4 (0.56) MAOBMAOAALDH1A1SLC6A4CA12
SCHEMBL7065085 0.79 KDM4E (0.57) MAOBMAOACYP2A6ALDH1A1
SCHEMBL5694453 0.78 KDM4E (0.56) MAOBMAOACYP2A6ALDH1A1
SCHEMBL23335199 0.78 MAOB (0.54) MAOBMAOACYP2A6ALDH1A1CA12
SCHEMBL9696325 0.77 MAOB (0.56) MAOBMAOACYP2A6ALDH1A1LOXL2
SCHEMBL13791015 0.77 MAOB (0.55) MAOBMAOACYP2A6ALDH1A1LOXL2
SCHEMBL28538405 0.77 MAOB (0.56) MAOBMAOACYP2A6ALDH1A1LOXL2
SCHEMBL8779814 0.77 MAOB (0.56) MAOBMAOACYP2A6ALDH1A1LOXL2
SCHEMBL30586333 0.77 SLC6A4 (0.42) MAOBMAOASLC6A4CA12CA2

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
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 — — US disclosed
CN-109963836-B Deuterium atom substituted indole carboxamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 — — CN disclosed
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2021-11-11 — — US disclosed
US-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-03 — — US disclosed
US-10450314-B2 Pteridine derivatives as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-22 — — US disclosed
EP-3356366-B1 PTERIDINE DERIVATIVES AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2019-08-28 — — EP disclosed
WO-2019052440-A1 DEUTERIUM ATOM-SUBSTITUTED INDOLE FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2019-03-21 — — WO disclosed
WO-2018185675-A1 SUBSTITUTED OXOAZETIDINE ANALOGUES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-10-11 — — WO disclosed
WO-2018116285-A1 SUBSTITUTED MORPHOLINE DERIVATIVES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-06-28 — — WO disclosed
WO-2018116285-A1 SUBSTITUTED MORPHOLINE DERIVATIVES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-06-28 — — WO disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 — — EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 — — WO disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 — — EP disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 — — US disclosed
EP-0271195-B1 SUBSTITUTED TRIAZINE DERIVATIVES Horsell Plc (GB) 1992-04-22 — — EP disclosed
US-4912218-A Substituted triazine derivatives COOKSON GROUP PLC (GB) 1990-03-27 — — US disclosed
EP-0271195-A1 Substituted triazine derivatives Horsell Plc (GB) 1988-06-15 — — 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 MAOB 455/4885MAOA 462/4885CYP2A6 799/4885
US-10450314-B2 Pteridine derivatives as modulators of ROR gamma RORB, RORC, RORA MAOB 2269/4885MAOA 3283/4885CYP2A6 335/4885
US-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof RORA, RORB, RORC MAOB 1053/4885MAOA 667/4885CYP2A6 244/4885
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME BLVRB, CDYL, CRY1 MAOB 28/4885MAOA 39/4885CYP2A6 424/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 MAOB 28/4885MAOA 39/4885CYP2A6 424/4885

“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.