SCHEMBL9560

SCHEMBL9560

CCOC(=O)c1ccc(-c2ccc(-c3onc(C)c3Nc3nnc(-c4ccccc4)o3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
HSD17B10 Q99714 3/20 0.52
KMT2A Q03164 2/20 0.49
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TARBP2 Q15633 1/20 0.45
POLB P06746 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
ADCY8 P40145 1/20 0.43
ADCY1 Q08828 1/20 0.43

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
SCHEMBL9976 0.88 RAB9A (0.54) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9830 0.85 KMT2A (0.46) TSHRHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL9717 0.83 LPAR1 (0.51) HSD17B10MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL18167241 0.83 LPAR1 (0.46) HSD17B10KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL10076 0.81 LPAR1 (0.47) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4746 0.79 ACHE (0.52) TSHRKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9479 0.78 LPAR1 (0.60) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10245 0.76 ABCC3 (0.43) HSD17B10MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2294098 0.76 LPAR1 (0.76) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2294093 0.76 LPAR1 (0.76) KMT2AMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO 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 TSHR 519/4885HSD17B10 2522/4885KMT2A 1424/4885

“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.