Sugi Predict

Sugi Predict / Compounds / SCHEMBL2539990

SCHEMBL2539990

SCHEMBL2539990

COc1ccc(C#N)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.58
▸ CYP11B2 P19099 6/20 0.58
▸ TRPV4 Q9HBA0 1/20 0.52
▸ AR P10275 4/20 0.50
▸ PGR P06401 2/20 0.50
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 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
Benzonitrile SCHEMBL8688698 0.88 CYP11B1 (0.49) CYP11B1CYP11B2TRPV4ARPGR
SCHEMBL15832074 0.88 POLB (0.51) CYP11B1CYP11B2ARPOLBGAA
SCHEMBL21681259 0.87 TRPV4 (0.47) CYP11B1CYP11B2TRPV4ARPGR
SCHEMBL2786920 0.85 CYP11B1 (0.68) CYP11B1CYP11B2ARPGRTUBB4A
SCHEMBL30079514 0.84 CYP11B1 (0.47) CYP11B1CYP11B2ARPGRMEN1
SCHEMBL1017145 0.84 CYP11B1 (0.47) CYP11B1CYP11B2ARPGRMEN1
SCHEMBL10535321 0.83 TRPV4 (0.55) CYP11B1CYP11B2TRPV4AR
SCHEMBL13657794 0.83 CYP11B1 (0.53) CYP11B1CYP11B2TRPV4ARPGR
SCHEMBL188561 0.82 MAOB (0.55) CYP11B1CYP11B2MAOBTDP1
SCHEMBL15832056 0.81 AR (0.61) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118054087-B Electrolyte, electrolyte injection method and lithium metal battery 蜂巢能源科技股份有限公司 2024-07-19 — — CN claimed
CN-118054087-A Electrolyte, electrolyte injection method and lithium metal battery 蜂巢能源科技股份有限公司 2024-05-17 — — CN claimed
CN-114824485-A Lithium ion battery electrolyte and lithium ion battery 河北文景联合科技有限公司 2022-07-29 — — CN claimed
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-26 — — US disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 — — 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-119518088-A Aromatic fluoronitrile electrolyte material, electrolyte and battery 孝感楚能新能源创新科技有限公司 2025-02-25 — — CN disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 — — EP disclosed
US-20240293381-A1 Therapeutic Compounds CELGENE QUANTICEL RES INC (US) 2024-09-05 — — US disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 — — CN disclosed
CN-118054087-B Electrolyte, electrolyte injection method and lithium metal battery 蜂巢能源科技股份有限公司 2024-07-19 — — CN disclosed
US-5580982-A ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1996-12-03 — — US disclosed
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 — — US disclosed
EP-0669920-A4 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS. HOECHST ROUSSEL PHARMA (US) 1995-10-25 — — EP disclosed
US-5455274-A Leukotriene antagonists; treating rheumatoid arthritis CIBA-GEIGY CORPORATION (US) 1995-10-03 — — US disclosed
EP-0669920-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, Inc. (US) 1995-09-06 — — EP disclosed
EP-0647592-A1 Process for the recovery of CuCN MERCK PATENT GmbH (DE) 1995-04-12 — — EP disclosed
EP-0601977-A1 Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor anagonists CIBA-GEIGY AG (CH) 1994-06-15 — — EP disclosed
WO-1994012495-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-06-09 — — WO disclosed
EP-0339252-A2 2,5-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-11-02 — — 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 (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-20240293381-A1 Therapeutic Compounds EP300, BRD4, BRD3 CYP11B1 4198/4885CYP11B2 4354/4885TRPV4 4092/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A CYP11B1 48/4885CYP11B2 9/4885TRPV4 2728/4885
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO CYP11B1 36/4885CYP11B2 56/4885TRPV4 1996/4885
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA GRIN1, GRIN3A, GRIN2A CYP11B1 1246/4885CYP11B2 1700/4885TRPV4 320/4885

“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.