SCHEMBL16701083

SCHEMBL16701083

Cn1nnc(-c2ccc(Br)cc2F)c1N(C(=O)O)c1cc[c]cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
NMT1 P30419 1/20 0.31
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL16700712 0.74 L3MBTL1 (0.43) L3MBTL1LPAR1LPAR3NMT1HIF1A
SCHEMBL16700525 0.66 ALOX5 (0.45) L3MBTL1
SCHEMBL18227426 0.61 NMT1 (0.47) L3MBTL1NMT1HIF1ANPSR1RXFP1
SCHEMBL4009381 0.61 ALOX5AP (0.43) HIF1AMMP1MMP2MMP3MMP7
SCHEMBL1630077 0.60 HIF1A (0.48) L3MBTL1NMT1HIF1ANPSR1RXFP1
SCHEMBL23363075 0.59 L3MBTL1 (0.38) L3MBTL1NMT1
SCHEMBL27007666 0.58 HSD11B1 (0.49) L3MBTL1NMT1
SCHEMBL15329715 0.58 NMT1 (0.40) L3MBTL1NMT1MMP1MMP2MMP3
SCHEMBL11682083 0.57 NPSR1 (0.54) L3MBTL1NPSR1
SCHEMBL14711183 0.57 LPAR1 (0.48) L3MBTL1LPAR1LPAR3NPSR1RXFP1

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-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 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-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 L3MBTL1 2346/4885LPAR1 1/4885LPAR3 3/4885

“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.