SCHEMBL16697230

SCHEMBL16697230

O=C(O)N[C@H](Cc1ccccc1)c1cnnn1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 5/20 0.39
CNR2 P34972 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36

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 0.80 SLC5A1 (0.42) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL16697897 0.79 HTT (0.41) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL16697264 0.77 SLC5A1 (0.41) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL18921065 0.72 S1PR4 (0.43) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL2761328 0.71 RAB9A (0.41) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL16699810 0.69 LPAR1 (0.47) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL1901572 0.69 FPR2 (0.52) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL16697947 0.68 CYP26A1 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL16697479 0.68 CCR1 (0.47) MEN1KMT2A
SCHEMBL16697439 0.67 POLB (0.41) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1

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 FPR2 117/4885MEN1 4586/4885NPC1 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.