SCHEMBL706857

SCHEMBL706857

O=c1ccc2ccc(Br)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.54
▸ CA9 Q16790 3/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA3 P07451 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA6 P23280 1/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA13 Q8N1Q1 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ CA5B Q9Y2D0 1/20 0.54
▸ AHR P35869 1/20 0.52
▸ F11 P03951 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ METAP2 P50579 2/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL30176791 1.00 CA12 (0.54) CA12CA9CA1CA3CA4
Acetic Acid SCHEMBL9409744 0.89 HRH4 (0.47) CA12CA9CA1CA3CA4
SCHEMBL347122 0.85 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL25904886 0.79 PDE3B (0.46) CA12CA9CA1CA3CA4
SCHEMBL17951770 0.77 MAPK1 (0.68) CA12CA9CA1CA3CA4
SCHEMBL16627567 0.75 METAP2 (0.46) AHRMETAP2NOS1DYRK1AHRH4
SCHEMBL252706 0.74 CA12 (0.54) CA12CA9CA1CA3CA4
SCHEMBL708122 0.74 DAO (0.56) CA12CA9CA1CA3CA4
SCHEMBL1286631 0.74 CA12 (0.54) CA12CA9CA1CA3CA4
SCHEMBL31743074 0.74 F11 (0.74) CA12CA9CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119841811-A Quinolone compound and preparation method and application thereof 复旦大学 2025-04-18 — — CN claimed
CN-115521298-A Preparation method of brexpiprazole 江苏慧聚药业股份有限公司 2022-12-27 — — CN claimed
EP-4583874-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2025-07-16 — — EP disclosed
US-20250163022-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. 2025-05-22 — — US disclosed
EP-4548972-A2 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2025-05-07 — — EP disclosed
EP-3917527-B1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC (US) 2025-04-23 — — EP disclosed
CN-119841811-A Quinolone compound and preparation method and application thereof 复旦大学 2025-04-18 — — CN disclosed
EP-3744714-B1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2025-01-15 — — EP disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed
EP-4452963-A1 PARP1 INHIBITORS Synnovation Therapeutics, Inc. (US) 2024-10-30 — — EP disclosed
CN-113645971-B Compounds and uses thereof 福宏治疗公司 2024-10-18 — — CN disclosed
EP-0583136-B1 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders KISSEI PHARMACEUTICAL (JP) 1997-10-08 — — EP disclosed
US-5616712-A SKIN DISORDERS; ANTICARCINOGENIC AND -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; ALLERGAN (US) 1997-04-01 — — US disclosed
WO-1996036609-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1996-11-21 — — WO disclosed
US-5294718-A Platelet aggregation inhibitors; antiischemic agents; side effect reduction KISSEI PHARMACEUTICAL CO., LTD. (JP) 1994-03-15 — — US disclosed
EP-0583136-A2 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders Kissei Pharmaceutical Co., Ltd. (JP) 1994-02-16 — — EP disclosed
US-5216148-A Treating, preventing neoplasms, dermatoses, aging of skin HOFFMANN-LA ROCHE INC. (US) 1993-06-01 — — US disclosed
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 — — US disclosed
CN-85100796-A The preparation method of qualone derivative — 1986-10-01 — — CN disclosed
EP-0148623-A2 Quinolone inotropic agents Pfizer Limited (GB) 1985-07-17 — — 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 (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-20250163022-A1 PARP1 INHIBITORS PARP1, PARP11, PARP12 CA12 4719/4885CA9 4407/4885CA1 4782/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CA12 4083/4885CA9 4188/4885CA1 3825/4885

“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.

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