SCHEMBL627108

SCHEMBL627108

Cc1cc(C#N)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 3/20 0.50
CYP2A6 P11509 2/20 0.46
EGLN2 Q96KS0 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
S100B P04271 1/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 3/20 0.39
SKP2 Q13309 1/20 0.38
ABCC3 O15438 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL5503660 0.84 TTR (0.43) CYP3A4ALDH1A1TDP1TSHRCYP2A6
SCHEMBL21388680 0.84 ALDH1A1 (0.65) CYP3A4ALDH1A1TDP1TSHRCYP2A6
SCHEMBL29502034 0.82 ALDH1A1 (0.50) CYP3A4ALDH1A1TDP1TSHRCYP2A6
SCHEMBL178452 0.82 ALDH1A1 (0.50) CYP3A4ALDH1A1TDP1TSHRCYP2A6
SCHEMBL1012341 0.81 TDP1 (0.56) CYP3A4ALDH1A1TDP1TSHRCYP2A6
SCHEMBL5395473 0.81 TDP1 (0.56) CYP3A4ALDH1A1TDP1TSHRCYP2A6
Hydrochloric Acid SCHEMBL6476027 0.80 ALDH1A1 (0.48) CYP3A4ALDH1A1TDP1TSHRCYP2A6
SCHEMBL16809161 0.79 ALDH1A1 (0.59) CYP3A4ALDH1A1TDP1TSHRAR
SCHEMBL352155 0.78 ALDH1A1 (0.50) CYP3A4ALDH1A1TDP1TSHRCYP2A6
SCHEMBL1436903 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6EGLN2ARCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 US claimed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 US claimed
EP-1966182-A1 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-10 EP claimed
WO-2007071440-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO claimed
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2025-12-02 US disclosed
CN-120425579-A Strong-bundling high-insulation glass fiber cloth and preparation method thereof 宿迁奕凯新材料科技有限公司 2025-08-05 CN disclosed
EP-4566596-A1 ANTI-HBV AGENT RIKEN (JP) 2025-06-11 EP disclosed
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
US-20250162992-A1 METHOD FOR PRODUCING AMIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-05-22 US disclosed
CN-119584960-A Anti-HBV agents 国立研究开发法人理化学研究所 2025-03-07 CN disclosed
CN-119241440-A Indazole benzoic acid derivative containing urea structure and preparation method and application thereof 沈阳药科大学 2025-01-03 CN disclosed
CN-115557907-B 2,4, 5-Trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2024-12-06 CN disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed
US-5019493-A Phenolic cyan coupler and non-color forming sulfonamide; high density; quality KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1991-05-28 US disclosed
US-5006437-A 2,5-diacylaminophenol coupler, p-dialkylaminoaniline developer noncoloring compound KONICA CORPORATION (JP) 1991-04-09 US disclosed
US-4882267-A SULFONAMIDE NON-COLOR-FORMING COMPOUND, HIGH BOILING PHOSPHATE SOLVENT, AMIDO-SUBSTITUTED PHENOLIC CYAN COUPLER KONICA CORPORATION (JP) 1989-11-21 US disclosed
EP-0270341-A2 Silver halide photographic light-sensitive material with excellent color reproducibility KONICA CORPORATION (JP) 1988-06-08 EP disclosed
EP-0264083-A2 Silver halide photographic material and method of forming a dye image thereon KONICA CORPORATION (JP) 1988-04-20 EP disclosed
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US 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 (4 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-20080300295-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 CYP3A4 842/4885ALDH1A1 1383/4885TDP1 1280/4885
US-20250162992-A1 METHOD FOR PRODUCING AMIDE COMPOUND NAAA, NCAPH, NCAPD2 CYP3A4 3087/4885ALDH1A1 1740/4885TDP1 1330/4885
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 CYP3A4 141/4885ALDH1A1 234/4885TDP1 1179/4885
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD CYP3A4 325/4885ALDH1A1 132/4885TDP1 723/4885

“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.