SCHEMBL5451

SCHEMBL5451

CCOc1ccccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
AR P10275 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
MAOA P21397 1/20 0.49
HTR2B P41595 1/20 0.49
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL30283197 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL27764098 0.98 NPC1 (0.50) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
Ammonia Solution, Strong SCHEMBL3942263 0.91 NPC1 (0.46) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL1132618 0.85 PIP4K2A (0.48) ALDH1A1GAAARPOLBNPSR1
SCHEMBL20607680 0.85 NPC1 (0.47) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL973234 0.84 ALDH1A1 (0.54) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
Acetoacetic Acid SCHEMBL27513054 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL13857771 0.82 ALDH1A1 (0.53) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL1444254 0.82 CYP1A2 (0.55) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL21728082 0.82 AR (0.43) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 US claimed
CN-115043845-B Synthesis method of sildenafil 江苏大学 2023-11-10 CN claimed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US claimed
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN claimed
EP-4168394-A1 AMIDOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 EP claimed
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 CN claimed
CN-115043845-A Synthesis method of sildenafil 江苏大学 2022-09-13 CN claimed
WO-2021259815-A1 AMIDOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 WO claimed
EP-1732922-A1 METHODS FOR MINIMIZING THIOAMIDE IMPURITIES Wyeth (US) 2006-12-20 EP claimed
WO-2005100347-A1 METHODS FOR MINIMIZING THIOAMIDE IMPURITIES WYETH (US) 2005-10-27 WO claimed
US-20250361338-A1 PROCESS FOR THE SYNTHESIS OF POLYETHYLENES OR COPOLYMERS OF ETHYLENE AND 1,3-DIENE HAVING A TERMINAL KETONE FUNCTION MICHELIN & CIE (FR) 2025-11-27 US disclosed
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-04-24 US disclosed
CN-116332733-B Dapagliflozin middle Synthesis process of intermediate 江苏阿尔法药业股份有限公司 2025-02-11 CN disclosed
CN-119343386-A Synthesis of polyethylene or copolymer of ethylene and 1, 3-diene having terminal ketone function 米其林集团总公司 2025-01-21 CN disclosed
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 US disclosed
CN-1139435-A New ginkgolide derivatives and process for preparing them SUNKYONG IND LTD (KR) 1997-01-01 CN disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
EP-0286889-B1 PROCESS FOR THE PREPARATION OF ORTHO-SUBSTITUTED ARYLCARBOXIMIDO ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-21 EP disclosed
US-4843167-A Process for the preparation of ortho-substituted arylcarboximidoesters HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-27 US disclosed
EP-0286889-A1 Process for the preparation of ortho-substituted arylcarboximido esters HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-19 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-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO SMN1; SMN2 4756/4885MAPK1 2762/4885NPC1 2076/4885
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 SMN1; SMN2 3227/4885MAPK1 1740/4885NPC1 2883/4885
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 SMN1; SMN2 3227/4885MAPK1 1740/4885NPC1 2883/4885

“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.