SCHEMBL354731

SCHEMBL354731

BrCc1cc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.64
ASIC3 Q9UHC3 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.64
AGXT P21549 1/20 0.58
ADRB2 P07550 1/20 0.58
ADRA1D P25100 2/20 0.47
MGLL Q99685 1/20 0.44
CTRC Q99895 1/20 0.43
BCL2L1 Q07817 1/20 0.42
IDH1 O75874 1/20 0.42
CHRNA7 P36544 1/20 0.42
GLS O94925 1/20 0.41
CA2 P00918 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
SCHEMBL30665226 1.00 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4283571 0.84 CYP2A6 (0.56) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4047968 0.83 CYP2A6 (0.60) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL17666729 0.83 CYP2A6 (0.46) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4961407 0.82 CYP2A6 (0.69) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL9587702 0.81 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL3113989 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2568843 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL18666283 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL1522855 0.78 CYP2A6 (0.64) CYP2A6ASIC3LOXL2AGXTADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776923-A Crocetin diester compound and application thereof in liver cancer cell resistance 常州大学 2024-03-29 CN claimed
CN-118047780-A Quinazoline heterocyclic compound and anti-infection and anti-tumor application thereof 中国医学科学院药物研究所 2024-05-17 CN disclosed
CN-117776923-A Crocetin diester compound and application thereof in liver cancer cell resistance 常州大学 2024-03-29 CN disclosed
CN-116947678-A Nitrogen-atom-disubstituted aromatic ring micromolecular organic compound, derivatives thereof and application of nitrogen-atom-disubstituted aromatic ring micromolecular organic compound in preparation of antibacterial drugs 河南大学 2023-10-27 CN disclosed
CN-116457347-A Compound containing condensed rings, application thereof and composition containing compound 健艾仕生物医药有限公司 2023-07-18 CN disclosed
CN-114478482-A Compound containing condensed ring, application thereof and composition containing compound 健艾仕生物医药有限公司 2022-05-13 CN disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
CN-109526218-A The preparation method of 5- bromomethyl -1- benzothiophene 富士胶片富山化学株式会社 2019-03-26 CN disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-5330997-A 1H-indazole-3-acetic acids as aldose reductase inhibitors PFIZER INC. (US) 1994-07-19 US disclosed
US-5236945-A 1H-indazole-3-acetic acids as aldose reductase inhibitors PFIZER INC. (US) 1993-08-17 US disclosed
EP-0325375-B1 1H-INDAZOLE-3-ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1992-08-12 EP disclosed
EP-0151477-B1 1H-IMIDAZOLE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1990-09-12 EP disclosed
WO-1989006651-A1 1H-INDAZOLE-3-ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1989-07-27 WO disclosed
EP-0325375-A1 1H-indazole-3-acetic acids as aldose reductase inhibitors PFIZER INC. (US) 1989-07-26 EP disclosed
EP-0151477-A2 1H-Imidazole derivatives, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1985-08-14 EP disclosed
EP-0040955-B1 3,4-DIHYDROXYPHENYLTETRAHYDROTHIENOPYRIDINES SMITHKLINE BECKMAN CORPORATION (US) 1984-06-27 EP disclosed
EP-0040955-A2 3,4-Dihydroxyphenyltetrahydrothienopyridines SMITHKLINE BECKMAN CORPORATION (US) 1981-12-02 EP disclosed
US-4282227-A Renal vasodilating 3,4-dihydroxyphenyltetrahydrothienopyridines SMITHKLINE CORPORATION (US) 1981-08-04 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 (1 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-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CYP2A6 1079/4885ASIC3 4283/4885LOXL2 1/4885

“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.