Sugi Predict

Sugi Predict / Compounds / SCHEMBL96164

SCHEMBL96164

SCHEMBL96164

N#Cc1ccc([C]=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CYP2A6 P11509 2/20 0.52
▸ CA12 O43570 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CA3 P07451 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ TSHR P16473 1/20 0.50
▸ CA1 P00915 5/20 0.48
▸ LOXL2 Q9Y4K0 2/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ GSK3B P49841 2/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ KIF11 P52732 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
SCHEMBL20358092 0.92 MMP3 (0.58) CA2CA9CYP2A6CA12ALDH1A1
SCHEMBL104811 0.83 APP (0.32) —
SCHEMBL45942 0.83 CA2 (0.69) CA2CA9CYP2A6CA12ALDH1A1
Water SCHEMBL28254092 0.83 CA2 (0.69) CA2CA9CYP2A6CA12ALDH1A1
Water SCHEMBL28189314 0.83 CA2 (0.69) CA2CA9CYP2A6CA12ALDH1A1
SCHEMBL2503454 0.83 CA2 (0.69) CA2CA9CYP2A6CA12ALDH1A1
SCHEMBL27486388 0.79 CA2 (0.65) CA2CA9CYP2A6CA12ALDH1A1
Fluoride SCHEMBL28136789 0.79 CA2 (0.65) CA2CA9CYP2A6CA12ALDH1A1
SCHEMBL28829194 0.79 CA2 (0.65) CA2CA9CYP2A6CA12ALDH1A1
Fluoride SCHEMBL28187921 0.79 CA2 (0.65) CA2CA9CYP2A6CA12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4136068-B1 A PROCESS FOR THE PREPARATION OF 4-CYANOBENZOYL CHLORIDES BASF SE (DE) 2024-07-10 — — EP claimed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 — — CN claimed
EP-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 — — EP claimed
CN-109796418-B Phenylalanine derivative containing 4-phenyl-1, 2, 3-triazole and preparation method and application thereof 山东大学 2022-03-25 — — CN claimed
CN-111892540-A Isolongifolane indazole compound and preparation method and application thereof 南京林业大学 2020-11-06 — — CN claimed
US-10669277-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2020-06-02 — — US claimed
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2020-01-30 — — US claimed
CN-108864075-A A kind of isothiazole connection thiazole and its preparation method and application 南开大学 2018-11-23 — — CN claimed
US-9969716-B2 Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-15 — — US claimed
US-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-30 — — US claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 — — WO claimed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 — — EP claimed
US-5134193-A Packaging for foods MOBIL OIL CORPORATION (US) 1992-07-28 — — US claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 — — US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 — — EP claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 — — EP claimed
US-4308161-A FOR UPGRADING BLACK COLOR OF BLACK LIQUID CRYSTAL DISPLAYS GENERAL ELECTRIC COMPANY (US) 1981-12-29 — — US claimed
US-4308164-A Novel yellow azo dyes and dichroic liquid crystal composition made therewith GENERAL ELECTRIC COMPANY (US) 1981-12-29 — — US claimed
US-4308163-A IMPROVING BLACK COLOR OF DICHROIC DYES GENERAL ELECTRIC COMPANY (US) 1981-12-29 — — US claimed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 — — US claimed

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-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF INMT, HNMT, NNMT CA2 3433/4885CA9 3112/4885CYP2A6 367/4885
US-10669277-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVR2A, ACVRL1 CA2 808/4885CA9 1316/4885CYP2A6 3247/4885
US-20200031830-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 CA2 808/4885CA9 1316/4885CYP2A6 3247/4885

“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.