SCHEMBL20101691

SCHEMBL20101691

CC(C)c1ccc(Br)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
HTT P42858 2/20 0.57
ALOX12 P18054 1/20 0.57
HIF1A Q16665 1/20 0.57
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SCN4A P35499 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL31585114 0.82 ALDH1A1 (0.38) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL840544 0.82 ALDH1A1 (0.52) ALDH1A1GAAHTTALOX12HIF1A
Hydrochloric Acid SCHEMBL6981827 0.80 GAA (0.50) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL31554197 0.79 GAA (0.37) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL741007 0.78 ALDH1A1 (0.64) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL29549360 0.78 ALDH1A1 (0.64) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL6895537 0.78 LMNA (0.44) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL29661836 0.78 LMNA (0.44) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL512377 0.74 ALDH1A1 (0.59) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL2244195 0.74 ALDH1A1 (0.59) ALDH1A1GAAHTTALOX12HIF1A

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
WO-2018081672-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-03 WO disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 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-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS EPHA2, L1CAM, ERBB2 ALDH1A1 801/4885GAA 2633/4885HTT 4829/4885

“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.