SCHEMBL1409459

SCHEMBL1409459

Nc1ccc(C(=O)N2CCNCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.68
HPGD P15428 2/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
ALDH1A1 P00352 1/20 0.52
MGLL Q99685 1/20 0.51
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50

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
SCHEMBL14466291 0.93 SIGMAR1 (0.60) SIGMAR1HPGDCA12CA1CA2
SCHEMBL8358137 0.90 SIGMAR1 (0.81) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL20261717 0.86 CA12 (0.73) HPGDCA12CA1CA2CA7
SCHEMBL30798838 0.85 SIGMAR1 (0.68) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL8260488 0.85 SIGMAR1 (0.72) SIGMAR1HPGDCCNCCDK8MKNK1
SCHEMBL3583338 0.85 HPGD (0.73) SIGMAR1HPGDCA12CA1CA2
Tert-Butyl Formate SCHEMBL27751341 0.84 HPGD (0.57) SIGMAR1HPGDCA12CA1CA2
SCHEMBL1509718 0.84 SIGMAR1 (0.47) SIGMAR1HPGDCA12CA1CA2
SCHEMBL23140495 0.83 SIGMAR1 (0.76) SIGMAR1HPGDCCNCCDK8MKNK1
SCHEMBL4505138 0.83 SIGMAR1 (0.70) SIGMAR1HPGDCCNCCDK8MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116585894-A Preparation method of photoinitiated polymerization assisted interfacial polymerization high-performance nanofiltration membrane 哈尔滨工业大学 2023-08-15 CN claimed
US-5922203-A AMINE COMPOUND REACTED WITH ACYL HALIDE FOR MEMBRANES HYDRANAUTICS (US) 1999-07-13 US claimed
CN-119161360-A Tricyclic heterocyclic derivative and preparation method and application thereof 浙江省人民医院 2024-12-20 CN disclosed
CN-116585894-A Preparation method of photoinitiated polymerization assisted interfacial polymerization high-performance nanofiltration membrane 哈尔滨工业大学 2023-08-15 CN disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
US-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2023-01-19 US disclosed
US-20220008418-A1 Aminoquinoline Derivatives and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-13 US disclosed
EP-3544975-B1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND USE DANA FARBER CANCER INST INC (US) 2022-01-05 EP disclosed
WO-2021236650-A1 CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
EP-2822936-B1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF MCLEAN HOSPITAL CORP (US) 2021-09-08 EP disclosed
US-5922203-A AMINE COMPOUND REACTED WITH ACYL HALIDE FOR MEMBRANES HYDRANAUTICS (US) 1999-07-13 US disclosed
US-5922203-A AMINE COMPOUND REACTED WITH ACYL HALIDE FOR MEMBRANES HYDRANAUTICS (US) 1999-07-13 US disclosed
EP-0215902-A1 PROCESS FOR 4-AMINO QUINOLINES THE UPJOHN COMPANY (US) 1987-04-01 EP disclosed
WO-1986005489-A1 PROCESS FOR 4-AMINO QUINOLINES THE UPJOHN COMPANY (US) 1986-09-25 WO disclosed
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed
US-4057518-A Process for the manufacture of heat resistant multicellular materials RHONE-POULENC INDUSTRIES (FR) 1977-11-08 US disclosed
US-4025629-A HYPOTENSIVES, ANTIANXIETY THE UPJOHN COMPANY (US) 1977-05-24 US disclosed
US-4013600-A STORAGE STABILITY RHONE-POULENC INDUSTRIES (FR) 1977-03-22 US disclosed
US-4010220-A AMINO COMPOUND, POLYURETHANE ELASTOMER RHONE-POULENC INDUSTRIES (FR) 1977-03-01 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 (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-20220008418-A1 Aminoquinoline Derivatives and Uses Thereof LRRK2, NLN, AADAT SIGMAR1 1896/4885HPGD 879/4885CA12 4878/4885
US-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS CPN1, CMBL, ALDH7A1 SIGMAR1 2491/4885HPGD 900/4885CA12 2096/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK SIGMAR1 4334/4885HPGD 693/4885CA12 4658/4885

“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.