SCHEMBL310967

SCHEMBL310967

O=C(Cl)Cc1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
TAAR1 Q96RJ0 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPK8 P45983 1/20 0.43
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 2/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RIPK1 Q13546 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
GLS O94925 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL31291159 1.00 CA12 (0.45) CA12CA1CA2CA9TAAR1
SCHEMBL6767819 0.84 AKR1B1 (0.46) ALDH1A1NPC1RAB9A
SCHEMBL11028284 0.83 GABRA1 (0.40) CA12CA1CA2CA9SIGMAR1
SCHEMBL1395809 0.83 MAPK8 (0.50) CA12CA1CA2CA9TAAR1
SCHEMBL1778391 0.82 CA12 (0.47) CA12CA1CA2CA9TAAR1
SCHEMBL1449282 0.82 CA12 (0.47) CA12CA1CA2CA9TAAR1
SCHEMBL4877644 0.80 CA12 (0.33) CA12CA1CA2CA9SIGMAR1
SCHEMBL6963978 0.80 CA12 (0.46) CA12CA1CA2CA9TAAR1
SCHEMBL286410 0.80 AKR1B1 (0.61) CA12CA1CA2CA9TAAR1
SCHEMBL30565097 0.80 AKR1B1 (0.61) CA12CA1CA2CA9TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756834-A Synthesis method of 2- (aminocarbonylmethyl) phenylboronic acid pinacol ester 大连双硼医药化工有限公司 2024-03-26 CN claimed
CN-111153865-A Parecoxib sodium substituted impurity and preparation method thereof 上海臣邦医药科技股份有限公司 2020-05-15 CN claimed
CN-120698931-A Preparation method of oxcarbazepine 河北科技大学 2025-09-26 CN disclosed
US-20250171399-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2025-05-29 US disclosed
CN-118974013-A Pyrrolidine compounds 伊莱利利公司 2024-11-15 CN disclosed
CN-117756834-A Synthesis method of 2- (aminocarbonylmethyl) phenylboronic acid pinacol ester 大连双硼医药化工有限公司 2024-03-26 CN disclosed
CN-117756834-A Synthesis method of 2- (aminocarbonylmethyl) phenylboronic acid pinacol ester 大连双硼医药化工有限公司 2024-03-26 CN disclosed
EP-3729190-B1 ELECTROPHORETIC DISPLAY DEVICE AND ELECTRONIC APPARATUS E INK CORP (US) 2024-02-07 EP disclosed
WO-2023178809-A1 SYNTHESIS METHOD FOR NUCIFERINE OR DERIVATIVE THEREOF, NUCIFERINE DERIVATIVE AND APPLICATION THEREOF 华侨大学 2023-09-28 WO disclosed
WO-2023146785-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2023-08-03 WO disclosed
US-11464783-B2 Heterocyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2022-10-11 US disclosed
US-4873262-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
US-4770810-A Organic compound having a smectic phase A, and a mixture comprising this compound THOMSON-CSF (FR) 1988-09-13 US disclosed
EP-0257378-A1 Pyrimidine derivatives, their preparation and medicaments containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-02 EP disclosed
CN-87105758-A Pyrimidine derivatives, their production and use 1988-03-02 CN disclosed
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US disclosed
EP-0140327-A2 Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-08 EP disclosed
US-4283532-A Process for preparation of o-(2,6-dichloroanilino)phenylacetic acid and novel intermediate for use in preparation of the same IKEDA MOHANDO CO., LTD. (JP) 1981-08-11 US disclosed
US-3971828-A METABOLISM, PROPHYLAXIS SANTEN PHARMACEUTICAL CO. LTD. (JA) 1976-07-27 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 (2 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-11464783-B2 Heterocyclic compounds SLC10A1, CFTR, PKD1 CA12 1227/4885CA1 2743/4885CA2 1635/4885
US-20250171399-A1 PYRROLIDINE COMPOUNDS SDHA, GMPS, SDHB CA12 3549/4885CA1 4534/4885CA2 3974/4885

“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.