SCHEMBL6987

SCHEMBL6987

Cc1onc(-c2ccc(Br)cc2)c1CBr

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.50
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CACNA1F O60840 1/20 0.42
ABCB1 P08183 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
RAB9A P51151 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL14790148 0.86 GABRA5 (0.50) GABRA5TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL21834100 0.85 GABRA5 (0.49) GABRA5ALDH1A1PTGS2PTGS1
SCHEMBL22230645 0.85 GABRA5 (0.49) GABRA5TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL935024 0.84 PTGS1 (0.58) GABRA5TDP1ALDH1A1NPSR1PTGS2
SCHEMBL29203444 0.83 GABRA5 (0.46) GABRA5ALDH1A1NPSR1PTGS2PTGS1
SCHEMBL24555946 0.82 GABRA5 (0.56) GABRA5TDP1ALDH1A1CACNA1FABCB1
SCHEMBL4593848 0.81 GABRA5 (0.46) GABRA5TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL2829680 0.80 CACNA1F (0.46) GABRA5TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL28898013 0.79 GABRA5 (0.44) GABRA5TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL22496032 0.75 PTGS2 (0.46) GABRA5TDP1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
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
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (2 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 GABRA5 881/4885TDP1 4043/4885CYP1A2 4342/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 GABRA5 881/4885TDP1 4043/4885CYP1A2 4342/4885

“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.