SCHEMBL4336478

SCHEMBL4336478

CC(C)c1nnnn1-c1cc(C(=O)O)cc(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 10/20 0.43
SRD5A2 P31213 1/20 0.43
MDM2 Q00987 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
ALPL P05186 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
P2RY14 Q15391 1/20 0.35

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
SCHEMBL4326113 0.91 TP53 (0.38) MARS1SMN1; SMN2TP53P2RY14
SCHEMBL4319717 0.90 APP (0.38) MARS1MDM2TP53P2RY14
SCHEMBL4324127 0.90 MAPK14 (0.36) MARS1TP53P2RY14
SCHEMBL4320039 0.87 P2RY14 (0.46) MDM2SMN1; SMN2TP53P2RY14
SCHEMBL4326365 0.83 MARS1 (0.43) MARS1SRD5A2KDM4ENPC1CRHBP
SCHEMBL357773 0.82 ALDH1A1 (0.39) MDM2SMN1; SMN2TP53KDM4CP2RY14
SCHEMBL4319227 0.81 KDM4A (0.38) KDM4ETP53KDM4CP2RY14
SCHEMBL4324315 0.80 P2RX3 (0.40) TP53P2RY14
SCHEMBL4051058 0.79 P2RX3 (0.46) TP53P2RY14
SCHEMBL18172340 0.78 P2RY14 (0.41) TP53P2RY14

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-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 MARS1 2171/4885SRD5A2 3020/4885MDM2 3285/4885

“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.