SCHEMBL727654

SCHEMBL727654

COc1ccc2cc(Br)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
EGFR P00533 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
NCF1 P14598 1/20 0.41
PRNP P04156 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP2A6 P11509 1/20 0.39
NQO1 P15559 1/20 0.39
PSMB5 P28074 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TLR2 O60603 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL2332151 0.86 BACE1 (0.52) BACE1L3MBTL1EGFRPRNPKDM4E
SCHEMBL7843173 0.86 L3MBTL1 (0.41) BACE1L3MBTL1EGFRHDAC3HDAC4
SCHEMBL31754005 0.81 BACE1 (0.46) BACE1L3MBTL1EGFRHDAC3HDAC4
SCHEMBL21980088 0.80 BACE1 (0.49) BACE1L3MBTL1HDAC1HDAC2PRNP
SCHEMBL16621225 0.80 BACE1 (0.45) BACE1L3MBTL1NCF1PRNPTLR2
SCHEMBL423324 0.78 CYP1A2 (0.59) BACE1NCF1KDM4ECYP2A6PSMB5
SCHEMBL1914302 0.77 BACE1 (0.63) BACE1HDAC1HDAC2KDM4ECYP2A6
SCHEMBL30527824 0.77 BACE1 (0.63) BACE1HDAC1HDAC2KDM4ECYP2A6
SCHEMBL21698711 0.77 KDM4E (0.58) BACE1EGFRHDAC3HDAC4HDAC1
SCHEMBL1238150 0.77 ESR1 (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192077-A Aromatic hydrocarbon receptor activator and preparation method and application thereof 山西大学 2024-12-27 CN claimed
CN-114085185-A Process for preparing bedaquiline and pharmaceutically acceptable salts thereof 东亚ST 株式会社 2022-02-25 CN claimed
JP-2011524383-A 2011-09-01 JP claimed
CN-102159208-A 6-1h-imidazo-quinazoline and quinolines derivatives, new mao inhibitors and imidazoline receptor ligands ROTTAPHARM SPA 2011-08-17 CN claimed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US claimed
EP-2315588-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS Rottapharm S.p.A. (IT) 2011-05-04 EP claimed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO claimed
EP-4696688-A1 BENZO-FUSED RING COMPOUND INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2026-02-18 EP disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
WO-2025068448-A1 ATP SYNTHASE INHIBITORS FOR USE IN THE TREATMENT OF NON-TUBERCULOSIS MYCOBACTERIA JANSSEN PHARMACEUTICA NV (BE) 2025-04-03 WO disclosed
CN-119192077-A Aromatic hydrocarbon receptor activator and preparation method and application thereof 山西大学 2024-12-27 CN disclosed
WO-1995031458-A1 3-HYDROXYQUINUCLIDIN-3-YLPHENYLQUINOLINES AS SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-23 WO disclosed
EP-0190857-B1 QUINOLONE INOTROPIC AGENTS Pfizer Limited (GB) 1990-03-21 EP disclosed
US-4728654-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1988-03-01 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-0190857-A2 Quinolone inotropic agents Pfizer Limited (GB) 1986-08-13 EP 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 (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-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS OPRM1, OPRD1, HTR3C BACE1 2602/4885L3MBTL1 2806/4885EGFR 1164/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP BACE1 2777/4885L3MBTL1 1947/4885EGFR 368/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 BACE1 4475/4885L3MBTL1 104/4885EGFR 915/4885

“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.