SCHEMBL15091053

SCHEMBL15091053

COc1cccc(Nc2ccc3c(c2N)CCCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CASP3 P42574 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
GAA P10253 3/20 0.48
GFER P55789 1/20 0.48
EGFR P00533 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
RAPGEF4 Q8WZA2 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL20378507 0.84 MAPT (0.47) NPC1RAB9ACDK5CDK5R1CASP3
SCHEMBL15091052 0.80 MAPT (0.51) NPC1RAB9ACCNA2CDK2CDK5
SCHEMBL14972869 0.77 SMN1; SMN2 (0.46) GAAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8330820 0.76 RAPGEF4 (0.49) NPC1RAB9AGAAEGFRRAPGEF4
SCHEMBL15091047 0.76 SYK (0.41) NPC1RAB9AMAPTMAPK1LMNA
SCHEMBL14972513 0.74 ALDH1A1 (0.45) GAAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL26906341 0.73 GAA (0.70) NPC1RAB9AGAAGFEREGFR
SCHEMBL15064182 0.73 RAB9A (0.47) NPC1RAB9ACDK5CDK5R1GAA
SCHEMBL1921497 0.70 MEN1 (0.62) NPC1RAB9AGAAGFEREGFR
SCHEMBL4945734 0.70 GAA (0.66) NPC1RAB9AGAAGFERAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2631229-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2014-12-03 EP disclosed
US-8673915-B2 P 2×4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2014-03-18 US disclosed
EP-2631229-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2013-08-28 EP disclosed
US-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2013-07-11 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-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST P2RX4, P2RX2, P2RY4 NPC1 1550/4885RAB9A 3740/4885CCNA2 1908/4885

“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.