SCHEMBL546371

SCHEMBL546371

Cc1[c][nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.42
AHR P35869 2/20 0.41
ATM Q13315 2/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP2A6 P11509 2/20 0.41
HSD17B10 Q99714 2/20 0.40
GPR3 P46089 1/20 0.40
KIF11 P52732 2/20 0.38
CYP2C19 P33261 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11232302 0.74 JAK2 (0.45) TNKS2GAAMAPTRXFP1MEN1
SCHEMBL316411 0.73 ALDH1A1 (0.41) ALDH1A1HSD17B10KIF11GAAHPGD
SCHEMBL2073631 0.71 ALDH1A1 (0.40) CYP1A2AHRATMALDH1A1HSD17B10
SCHEMBL1639050 0.71 ALDH1A1 (0.40) CYP1A2AHRATMALDH1A1CYP2A6
SCHEMBL127256 0.71 ALDH1A1 (0.40) AHRATMALDH1A1HSD17B10GPR3
SCHEMBL3849040 0.71 ALDH1A1 (0.40) CYP1A2AHRATMALDH1A1HSD17B10
SCHEMBL9723837 0.71 ALDH1A1 (0.40) CYP1A2AHRATMALDH1A1HSD17B10
SCHEMBL570354 0.71 ALDH1A1 (0.40) CYP1A2AHRATMALDH1A1HSD17B10
SCHEMBL650736 0.71 KDM4E (0.41) CYP1A2AHRATMALDH1A1HSD17B10
SCHEMBL2987901 0.71 ALDH1A1 (0.40) CYP1A2AHRATMALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092830-A1 PROCESS FOR PREPARING CARBOXYL CYCLIC ACID ANHYDRIDE PEKING UNIVERSITY (CN) 2024-03-21 US claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
EP-4265600-A1 PROCESS FOR PREPARING CARBOXYL CYCLIC ACID ANHYDRIDE Peking University (CN) 2023-10-25 EP claimed
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 CN claimed
CN-115677600-A 2, 3-dihydroquinazoline-4 (1H) -ketone derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2023-02-03 CN claimed
CN-114181150-A Pyrazole amide derivative, preparation method and application thereof 沈阳万菱生物技术有限公司 2022-03-15 CN claimed
EP-3927706-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF PROLIFERATIVE DISORDERS 1st Biotherapeutics, Inc. (KR) 2021-12-29 EP claimed
EP-3927705-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1st Biotherapeutics, Inc. (KR) 2021-12-29 EP claimed
US-20210347774-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2021-11-11 US claimed
CN-113454082-A Imidazopyridinyl compounds and their use for the treatment of neurodegenerative diseases 第一生物治疗股份有限公司 2021-09-28 CN claimed
EP-0598837-A4 AMINO ACID, ESTER AND/OR CATECHOL CONTRAST AGENTS FOR MRI. UNIV CALIFORNIA (US) 1994-07-13 EP claimed
EP-0598837-A1 AMINO ACID, ESTER AND/OR CATECHOL CONTRAST AGENTS FOR MRI THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-06-01 EP claimed
WO-1993014088-A1 ANTIHISTAMINIC PIPERAZINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-22 WO claimed
WO-1993003351-A1 AMINO ACID, ESTER AND/OR CATECHOL CONTRAST AGENTS FOR MRI THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-02-18 WO claimed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP claimed
EP-0391414-A2 Benzazepine and benzothiazepine derivatives E.R. SQUIBB & SONS, INC. (US) 1990-10-10 EP claimed
US-4946840-A Benzazepine and benzothiazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1990-08-07 US claimed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP claimed
US-4317832-A ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AGENTS KLINGLER KARL HEINZ 1982-03-02 US claimed
US-4144340-A ADRENERGIC BLOCKING AGENTS DEUTSCHE GOLD UND SILBER- SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-03-13 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 CYP1A2 2567/4885AHR 4371/4885ATM 1296/4885
US-20240092830-A1 PROCESS FOR PREPARING CARBOXYL CYCLIC ACID ANHYDRIDE CA9, CA7, APEH CYP1A2 465/4885AHR 3089/4885ATM 3473/4885
US-20210347774-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT CYP1A2 2916/4885AHR 813/4885ATM 2099/4885

“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.