SCHEMBL8033916

SCHEMBL8033916

Cc1cc(Br)cc(NN)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
RAPGEF4 Q8WZA2 3/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 1/20 0.36
TACR1 P25103 2/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL486140 0.82 MAPT (0.50) MAPTGAARAPGEF4ALDH1A1NPC1
SCHEMBL11718014 0.82 IDO1 (0.39) TSHRCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL14322256 0.80 RAPGEF4 (0.46) MAPTGAARAPGEF4ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1761294 0.79 MAPT (0.48) MAPTGAARAPGEF4ALDH1A1NPC1
SCHEMBL18186488 0.78 HTR6 (0.40) MAPTGAARAPGEF4ALDH1A1MAPK1
SCHEMBL24813033 0.73 MAPT (0.36) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL10154713 0.73 THRB (0.38) MAPTGAARAPGEF4ALDH1A1MAPK1
SCHEMBL5453986 0.73 KIF11 (0.47) MAPTGAAALDH1A1NPC1NPSR1
SCHEMBL35212106 0.73 CYP1A2 (0.55) MAPTGAAALDH1A1NPSR1MEN1
SCHEMBL14347168 0.73 CYP1A2 (0.55) MAPTGAAALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2009068652-A1 2, 6-DISUBSTITUTED PYRIDINES AND 2, 4-DISUBSTITUTED PYRIMIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 MAPT 2730/4885GAA 2920/4885RAPGEF4 1093/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 MAPT 2730/4885GAA 2920/4885RAPGEF4 1093/4885

“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.