SCHEMBL13719968

SCHEMBL13719968

Cc1noc(-c2ccc(Br)cc2)c1CC(=O)NC(C)c1ccccc1.Cc1noc(-c2ccc(Br)cc2)c1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LPAR1 Q92633 3/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.43
LPAR3 Q9UBY5 2/20 0.43
STAT3 P40763 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7105 0.97 ALDH1A1 (0.53) ALDH1A1LPAR1MAPTHPGDNPSR1
SCHEMBL1279 0.83 CYP1A2 (0.43) ALDH1A1LPAR1MAPTKMT2AMEN1
SCHEMBL7013 0.82 ALDH1A1 (0.50) ALDH1A1LPAR1NPSR1KMT2AMEN1
SCHEMBL18597680 0.82 ALDH1A1 (0.50) ALDH1A1LPAR1NPSR1KMT2AMEN1
SCHEMBL5869 0.82 ALDH1A1 (0.50) ALDH1A1LPAR1NPSR1KMT2AMEN1
SCHEMBL14472 0.81 LPAR1 (0.58) ALDH1A1LPAR1MAPTHPGDKMT2A
SCHEMBL11897018 0.77 SMN1; SMN2 (0.49) ALDH1A1LPAR1MAPTKMT2AMEN1
SCHEMBL14367 0.77 LPAR1 (0.50) ALDH1A1LPAR1MAPTHPGDKMT2A
SCHEMBL3829 0.77 P2RX7 (0.42) MAPTCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10078633 0.76 LPAR1 (0.38) ALDH1A1LPAR1MAPTKMT2AMEN1

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-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALDH1A1 3726/4885LPAR1 1/4885MAPT 3775/4885

“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.