SCHEMBL16697264

SCHEMBL16697264

CCc1nnn(-c2ccc(Br)cc2)c1[C@@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 3/20 0.41
SLC5A2 P31639 3/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FPR2 P25090 4/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
LPAR1 Q92633 1/20 0.36
CYP19A1 P11511 1/20 0.36
TP53 P04637 2/20 0.35
ALOX12 P18054 1/20 0.35
CNR2 P34972 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL16697498 0.89 SLC5A1 (0.42) SLC5A1SLC5A2NPC1RAB9AKMT2A
SCHEMBL16697897 0.81 HTT (0.41) SLC5A1SLC5A2NPC1RAB9AKMT2A
SCHEMBL16697947 0.77 CYP26A1 (0.42) KMT2AMEN1CYP19A1TP53
SCHEMBL16697230 0.77 FPR2 (0.40) NPC1RAB9AKMT2AMEN1FPR2
SCHEMBL16697479 0.76 CCR1 (0.47) KMT2AMEN1LPAR1HSP90AA1
SCHEMBL16697439 0.76 POLB (0.41) SLC5A1SLC5A2NPC1RAB9AKMT2A
SCHEMBL16699810 0.74 LPAR1 (0.47) NPC1RAB9AKMT2AMEN1FPR2
SCHEMBL16697685 0.73 LPAR1 (0.39) SLC5A1SLC5A2NPC1RAB9AKMT2A
SCHEMBL16698165 0.73 PIN1 (0.42) SLC5A1SLC5A2
SCHEMBL16697375 0.71 KMT2A (0.37) KMT2AMEN1FPR2

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 SLC5A1 2682/4885SLC5A2 3005/4885NPC1 628/4885

“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.