Sugi Predict

Sugi Predict / Compounds / SCHEMBL2436552

SCHEMBL2436552

SCHEMBL2436552

Cn1ccc2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.53
▸ HTR2C P28335 3/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ HTR7 P34969 1/20 0.45
▸ MAOB P27338 2/20 0.44
▸ PRKCI P41743 1/20 0.44
▸ CDC7 O00311 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PIK3CB P42338 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL30221529 1.00 CYP2A6 (0.53) CYP2A6HTR2CHTR2AHTR7MAOB
SCHEMBL1606270 0.92 CYP2A6 (0.47) CYP2A6HTR2CHTR2AHTR7MAOB
SCHEMBL18867951 0.83 PRKCI (0.59) CYP2A6HTR2CHTR2AMAOBPRKCI
SCHEMBL2114014 0.83 PRKCI (0.59) CYP2A6HTR2CHTR2AMAOBPRKCI
SCHEMBL18683804 0.76 PRKCI (0.60) CYP2A6MAOBPRKCIL3MBTL1PIK3CB
SCHEMBL171810 0.76 CYP2A6 (0.55) CYP2A6HTR2CHTR2AHTR7PRKCI
SCHEMBL15730604 0.76 HTR2A (0.53) CYP2A6HTR2CHTR2AMAOBPRKCI
SCHEMBL8435460 0.75 HTR2C (0.59) HTR2CHTR2AHTR7
SCHEMBL398452 0.74 PRKCI (0.70) CYP2A6PRKCIL3MBTL1PIK3CBSLC6A2
SCHEMBL266519 0.74 CYP2A6 (0.53) CYP2A6HTR2CHTR2AHTR7PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409615-A 2- (Indol-3-yl) phenol compound and synthesis method thereof 湘潭大学 2025-02-11 — — CN claimed
CN-117903161-A Tetrathiodiindole compound and derivative, synthetic method and application thereof 衡阳师范学院 2024-04-19 — — CN claimed
CN-116969967-A Synthesis method of polysubstituted-5, 10-dihydro [1,2,3,4] tetrathio [5,6-b:7,8-b' ] diindole and derivative 衡阳师范学院 2023-10-31 — — CN claimed
CN-116813639-A Synthesis method of polysubstituted [1,2,3,4,5] pentathio [6,7-b ] indole and derivative 衡阳师范学院 2023-09-29 — — CN claimed
CN-109438318-B Synthesis method of 3-aryl indole and derivatives thereof 湖南医药学院 2022-05-03 — — CN claimed
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 — — EP claimed
CN-106995400-B A kind of compound and its salt and its synthetic method 湘潭大学 2019-08-06 — — CN claimed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 — — US claimed
EP-3414216-A1 ARYLATION OF ALIPHATIC AMINES AAA Chemistry ApS (DK) 2018-12-19 — — EP claimed
CN-108218897-A Polysubstituted selenophen diindyl and derivative and its synthetic method 湘潭大学 2018-06-29 — — CN claimed
CN-107619386-A A kind of aromatic ring simultaneously [c] carbazole analog derivative and its synthetic method 湘潭大学 2018-01-23 — — CN claimed
WO-2017137047-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2017-08-17 — — WO claimed
CN-106995400-A A kind of compound and its salt and its synthetic method 湘潭大学 2017-08-01 — — CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 — — CN claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 — — US claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 — — US claimed
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 — — US disclosed
US-12319946-B2 Methods for producing modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-03 — — US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 — — US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 — — 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 (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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 CYP2A6 1517/4885HTR2C 3894/4885HTR2A 2878/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 CYP2A6 528/4885HTR2C 69/4885HTR2A 114/4885
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES NAT1, AHR, ABL1 CYP2A6 398/4885HTR2C 255/4885HTR2A 308/4885

“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.