SCHEMBL12005259

SCHEMBL12005259

O=C=Nc1cccc(Br)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
JAK2 O60674 1/20 0.38
BTK Q06187 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
TRPA1 O75762 1/20 0.32
PMM2 O15305 2/20 0.32
MPI P34949 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL58545 0.85 CYP3A4 (0.60) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL93182 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL29862583 0.79 CYP3A4 (0.54) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL93220 0.79 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL29463737 0.79 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL2169198 0.78 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TDP1TRPA1
Ammonia Solution, Strong SCHEMBL28180433 0.78 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL2291859 0.76 CYP3A4 (0.60) CYP3A4GABRA1GABRB2TDP1MAPK1
SCHEMBL15351819 0.76 CYP3A4 (0.73) CYP3A4GABRA1GABRB2TDP1TRPA1
SCHEMBL1901940 0.76 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TDP1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768764-A Process for preparing urea derivatives 安道麦阿甘有限公司 2023-09-19 CN claimed
CN-116768764-A Process for preparing urea derivatives 安道麦阿甘有限公司 2023-09-19 CN disclosed
CN-108753220-A A kind of high temperature resistant, solvent-proof phenolic resin film 长春峰泰汽车胶业有限公司 2018-11-06 CN disclosed
CN-104418866-B Dgat1 inhibitor and its preparation method and application 青岛黄海制药有限责任公司 2018-10-16 CN disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA CYP3A4 2674/4885GABRA1 3955/4885GABRB2 4640/4885

“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.