SCHEMBL7724850

SCHEMBL7724850

Nc1cc(Br)cc(Br)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
TSHR P16473 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ERN1 O75460 1/20 0.46
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL18224 0.80 CYP3A4 (1.00) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL21695780 0.79 GAA (0.50) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL28015082 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11020186 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
Iodide SCHEMBL28328087 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
Hydrogen Sulfide SCHEMBL27992646 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL10546483 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL4340169 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL29858952 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11020188 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720057-A2 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF Oncopia Therapeutics, Inc. D/B/A SK Life Science Labs (US) 2026-04-08 EP disclosed
WO-2024249888-A2 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2024-12-05 WO disclosed
US-9999616-B2 2018-06-19 US disclosed
US-20170227545-A1 REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-08-10 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-06-29 US disclosed
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-06-29 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed
EP-0136745-B1 BENZOYL UREA DERIVATIVES HAVING ANTI-TUMOR ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-06-07 EP disclosed
US-4716204-A ADDUCTS OF BENZO-N-HETEROCYCLES THE DOW CHEMICAL COMPANY (US) 1987-12-29 US disclosed
US-4701512-A DIISOCYANATE-BLOCKING AGENT RELEASED BY HEATING AND CONVERTED INTO AN EPOXIDE-CROSSLINKER THE DOW CHEMICAL COMPANY (US) 1987-10-20 US disclosed
US-4631331-A BENZO-N-HETEROCYCLES THE DOW CHEMICAL COMPANY (US) 1986-12-23 US disclosed
US-4631332-A Use of benzo-n-heterocycles to advance epoxy resins THE DOW CHEMICAL COMPANY (US) 1986-12-23 US disclosed
EP-0136745-A2 Benzoyl urea derivatives having anti-tumor activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-04-10 EP disclosed
US-4110116-A Fogged direct positive silver halide emulsion containing a cyanine dye having at least one benzoxazole or benzothiazole nucleus substituted with halogen atoms MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-08-29 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 (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-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CYP3A4 4167/4885TSHR 3560/4885TDP1 1433/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CYP3A4 4167/4885TSHR 3560/4885TDP1 1433/4885
US-20170227545-A1 REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY NQO1, NCL, NANS CYP3A4 476/4885TSHR 4081/4885TDP1 3065/4885

“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.