SCHEMBL13388

SCHEMBL13388

Cc1noc(-c2ccc(-c3ccccc3)cc2)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.53
TDO2 P48775 1/20 0.53
BRD2 P25440 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
IP6K1 Q92551 3/20 0.40
PTGS2 P35354 2/20 0.40
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NOTUM Q6P988 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39

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
SCHEMBL1754692 0.96 BRD4 (0.56) BRD4TDO2BRD2ALDH1A1MAPT
SCHEMBL14789798 0.87 RAB9A (0.40) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1223 0.81 MEN1 (0.39) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13959362 0.81 PTGS2 (0.42) BRD4TDO2ALDH1A1SMN1; SMN2EDNRB
SCHEMBL13959385 0.79 MAPK14 (0.40) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13959867 0.79 KMT2A (0.47) BRD4ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL13959849 0.79 CHEK1 (0.48) BRD4TDO2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2290795 0.78 LPAR1 (0.52) HSD17B10LPAR1LPAR3PTGS1
SCHEMBL18597666 0.78 MEN1 (0.50) BRD4TDO2BRD2ALDH1A1MAPT
SCHEMBL13960104 0.77 BRD4 (0.34) BRD4TDO2BRD2ALDH1A1MAPT

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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
WO-2011041462-A2 POLYCYCLIC 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 (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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BRD4 1103/4885TDO2 4557/4885BRD2 1466/4885

“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.