SCHEMBL3229246

SCHEMBL3229246

COc1ccc(C(Br)(C=O)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.53
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NQO2 P16083 1/20 0.41
KMT2A Q03164 2/20 0.40
PTGS1 P23219 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL13096609 0.80 NFE2L2 (0.55) NFE2L2ALDH1A1NPC1RAB9AMAOA
SCHEMBL10958010 0.80 CYP1A2 (0.50) NFE2L2ALDH1A1CYP2A6NPC1RAB9A
SCHEMBL19503605 0.80 ALDH1A1 (0.61) NFE2L2ALDH1A1CYP2A6MAOBNQO2
SCHEMBL1694647 0.79 BACE1 (0.51) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL20703304 0.79 SMN1; SMN2 (0.50) ALDH1A1NPC1RAB9AKMT2AGAA
SCHEMBL7938513 0.77 NFE2L2 (0.52) NFE2L2NPC1RAB9AMAOAMAOB
SCHEMBL7024215 0.77
SCHEMBL8298 0.77
SCHEMBL18745578 0.76 NFE2L2 (0.55) NFE2L2ALDH1A1NPC1RAB9AMAOA
SCHEMBL4015306 0.76 KCNN4 (0.50) NFE2L2ALDH1A1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 NFE2L2 843/4885ALDH1A1 1908/4885CYP2A6 3201/4885

“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.