SCHEMBL12117482

SCHEMBL12117482

CC(=O)Nc1cc(Br)c(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 4/20 0.43
KMT2A Q03164 2/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ESR1 P03372 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
SCHEMBL1541823 0.92 ALDH1A1 (0.47) ALDH1A1HPGDPOLBCYP3A4CYP2C19
SCHEMBL30526799 0.92 ALDH1A1 (0.47) ALDH1A1HPGDPOLBCYP3A4CYP2C19
SCHEMBL9300055 0.88 CA1 (0.49) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL2319917 0.84 CA1 (0.49) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL1316516 0.83 HDAC1 (0.45) ALDH1A1HPGDPOLBCYP3A4CYP2C19
SCHEMBL30946434 0.83 HDAC1 (0.49) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL10306224 0.83 ALDH1A1 (0.54) ALDH1A1HPGDPOLBCYP3A4CYP2C19
SCHEMBL29819513 0.83 ALDH1A1 (0.58) ALDH1A1HPGDPOLBCYP3A4CYP2C19
SCHEMBL12117481 0.82 KDM4E (0.50) ALDH1A1HPGDPOLBCYP2C19CA1
SCHEMBL16841342 0.81 POLB (0.50) ALDH1A1HPGDPOLBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 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-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 ALDH1A1 813/4885HPGD 1236/4885POLB 4339/4885

“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.