SCHEMBL521090

SCHEMBL521090

N#CCCc1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
TAAR1 Q96RJ0 3/20 0.57
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAOB P27338 1/20 0.43
NLRP3 Q96P20 1/20 0.43
PYCR1 P32322 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL2573264 0.89 MEN1 (0.57) MEN1KMT2ATAAR1IDO1AGXT
SCHEMBL2794522 0.87 MEN1 (0.55) MEN1KMT2ATAAR1IDO1AGXT
SCHEMBL4399626 0.80 TAAR1 (0.74) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL17210451 0.80 MEN1 (0.47) MEN1KMT2ATAAR1IDO1AGXT
SCHEMBL5314627 0.80 TAAR1 (0.57) MEN1KMT2ATAAR1IDO1AGXT
SCHEMBL7718853 0.80 MEN1 (0.80) MEN1KMT2ATAAR1MAOBTDP1
SCHEMBL5537172 0.80 TAAR1 (0.57) MEN1KMT2ATAAR1IDO1AGXT
SCHEMBL332680 0.79 ENPP2 (0.53) MEN1KMT2ATAAR1IDO1AGXT
SCHEMBL5240585 0.76 TAAR1 (0.68) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL24289005 0.76 MEN1 (0.73) MEN1KMT2AIDO1SMN1; SMN2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974902-B 2-Cyano-1-phenyl vinyl boric acid pinacol ester and preparation method and application thereof 韶远科技(上海)有限公司 2024-10-18 CN disclosed
EP-4185379-A1 THERAPEUTIC AGENTS TARGETING GPR35 Prometheus Biosciences, Inc. (US) 2023-05-31 EP disclosed
US-20230151017-A1 THERAPEUTIC AGENTS TARGETING GPR35 PROMETHEUS BIOSCIENCES, INC. 2023-05-18 US disclosed
US-20230151017-A1 THERAPEUTIC AGENTS TARGETING GPR35 PROMETHEUS BIOSCIENCES, INC. 2023-05-18 US disclosed
CN-115974902-A 2-cyano-1-phenyl vinyl boronic acid pinacol ester and preparation method and application thereof 韶远科技(上海)有限公司 2023-04-18 CN disclosed
WO-2022020617-A1 THERAPEUTIC AGENTS TARGETING GPR35 PROMETHEUS BIOSCIENCES, INC. (US) 2022-01-27 WO disclosed
WO-2017060488-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-13 WO disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 US disclosed
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
WO-2006044497-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE MERCK & CO., INC. (US) 2006-04-27 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 WO disclosed
WO-2004011427-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO 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-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MEN1 1174/4885KMT2A 1110/4885TAAR1 1865/4885
US-20230151017-A1 THERAPEUTIC AGENTS TARGETING GPR35 GPR35, GPR68, GPR65 MEN1 3802/4885KMT2A 4043/4885TAAR1 836/4885
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS AADAC, ME2, HTRA2 MEN1 4052/4885KMT2A 476/4885TAAR1 3166/4885
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease BACE1, BACE2, APP MEN1 1616/4885KMT2A 3934/4885TAAR1 1631/4885

“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.