SCHEMBL14712100

SCHEMBL14712100

C[C@@H](OC(=O)Nc1cncn1-c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.47
LPAR3 Q9UBY5 4/20 0.42
LRRK2 Q5S007 1/20 0.40
HRH1 P35367 1/20 0.40
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR3 Q99500 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GRM5 P41594 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
SCHEMBL14710820 0.84 LPAR1 (0.50) LPAR1LPAR3ALDH1A1LMNAGRM5
SCHEMBL14712110 0.82 LPAR1 (0.73) LPAR1LPAR3HRH1
SCHEMBL29895991 0.82 LPAR1 (0.55) LPAR1LPAR3HRH1MAPK1ALDH1A1
SCHEMBL14790526 0.81 LPAR1 (0.56) LPAR1LPAR3HRH1
SCHEMBL14712068 0.81 LPAR1 (0.69) LPAR1LPAR3LRRK2HRH1ALDH1A1
SCHEMBL14712103 0.80 LPAR1 (0.63) LPAR1LPAR3HRH1
SCHEMBL23235401 0.79 LPAR1 (0.49) LPAR1LPAR3LRRK2HRH1GRM5
SCHEMBL23235402 0.79 LPAR1 (0.49) LPAR1LPAR3LRRK2HRH1GRM5
SCHEMBL23235383 0.74 LPAR1 (0.53) LPAR1LPAR3HRH1RAB9AMEN1
SCHEMBL23235395 0.74 LPAR1 (0.53) LPAR1LPAR3HRH1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885LRRK2 1029/4885

“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.