SCHEMBL13719443

SCHEMBL13719443

Cc1noc(-c2ccc(Br)cc2)c1C(O)CCC=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
HTR2A P28223 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL14616 1.00 HDAC1 (0.34) HDAC1GAACASP3SENP7HTR2A
SCHEMBL7450 0.90 HTR2A (0.37) HDAC1GAACASP3SENP7HTR2A
SCHEMBL1604526 0.90 HTR2A (0.37) HDAC1GAACASP3SENP7HTR2A
SCHEMBL13720099 0.85 BRD4 (0.33) HDAC1
SCHEMBL14587 0.85 BRD4 (0.33) HDAC1
SCHEMBL18597987 0.82 ABCC3 (0.35) HDAC1LPAR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13701 0.82 BRD4 (0.36) HDAC1GAACASP3SENP7LPAR1
SCHEMBL14777651 0.82 BRD4 (0.36) HDAC1GAACASP3SENP7LPAR1
SCHEMBL14649 0.82 BRD4 (0.35) SMN1; SMN2NPC1CYP1A2CYP2C19RAB9A
SCHEMBL14777413 0.81 IP6K1 (0.40) HDAC1LPAR1LPAR3SMN1; SMN2NPC1

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-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

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 HDAC1 977/4885GAA 1192/4885CASP3 2977/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 HDAC1 977/4885GAA 1192/4885CASP3 2977/4885

“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.