SCHEMBL16698019

SCHEMBL16698019

COC(=O)c1nnn(-c2ccc(Br)cc2)c1C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
ALOX12 P18054 1/20 0.55
MAPT P10636 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
PTGS2 P35354 5/20 0.51
HTT P42858 1/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
PARP1 P09874 1/20 0.50
CA4 P22748 1/20 0.49
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3406088 0.85 PTGS2 (0.71) TP53ALOX12MAPTKMT2AMEN1
SCHEMBL10985613 0.84 TP53 (0.74) TP53KMT2AMEN1GAACA1
SCHEMBL16697767 0.83 HTT (0.73) TP53ALOX12MAPTKMT2APTGS2
SCHEMBL28634940 0.83 TP53 (0.52) TP53ALOX12MAPTKMT2AMEN1
SCHEMBL30808867 0.82 TP53 (0.47) TP53ALOX12MAPTKMT2AMEN1
SCHEMBL16697431 0.79 SLC5A1 (0.46) TP53KMT2AMEN1GAAHTT
SCHEMBL18321160 0.76 CYP1A2 (0.55) MAPTKMT2AMEN1GAAHTT
SCHEMBL15882211 0.73 SMN1; SMN2 (0.77) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL23001698 0.72 SMN1; SMN2 (0.75) TP53ALOX12MAPTKMT2AGAA
SCHEMBL17454416 0.72 PTGS2 (0.68) MAPTKMT2APTGS2HTTCA1

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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 TP53 4825/4885ALOX12 397/4885MAPT 3829/4885

“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.