SCHEMBL16700712

SCHEMBL16700712

Cn1nnc(-c2ccc(Br)cc2F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
NMT1 P30419 1/20 0.37
RORC P51449 4/20 0.36
MAP2K1 Q02750 1/20 0.36
POLB P06746 1/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 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
DGAT1 O75907 1/20 0.36
HCAR3 P49019 1/20 0.35
MCL1 Q07820 1/20 0.35
AKR1B1 P15121 1/20 0.33

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
SCHEMBL16700525 0.83 ALOX5 (0.45) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL23363075 0.78 L3MBTL1 (0.38) L3MBTL1NMT1POLBHCAR3KMT2A
SCHEMBL14711183 0.77 LPAR1 (0.48) L3MBTL1POLBLPAR1LPAR3NPSR1
SCHEMBL16701083 0.74 L3MBTL1 (0.33) L3MBTL1NMT1LPAR1LPAR3HIF1A
SCHEMBL23363199 0.72 ALDH1A1 (0.42) LPAR1RXFP1HCAR3KMT2AALDH1A1
SCHEMBL28906200 0.72 ALPL (0.48) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL23294499 0.71 KMO (0.46) KMT2AALDH1A1
SCHEMBL28906210 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL18227426 0.70 NMT1 (0.47) L3MBTL1NMT1POLBHIF1ANPSR1
SCHEMBL16701090 0.69 ALOX5 (0.45) POLBALDH1A1

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 2346/4885NMT1 242/4885RORC 869/4885

“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.