SCHEMBL348125

SCHEMBL348125

O=C(O)c1ccc2c(N3CCOCC3)nn(-c3ccsc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
CSNK2A1 P68400 2/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CD O00329 1/20 0.39
BRD4 O60885 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
MAT2A P31153 1/20 0.39
RARG P13631 1/20 0.38
RORC P51449 1/20 0.38
EGLN1 Q9GZT9 3/20 0.37
POLB P06746 2/20 0.36
EPHX2 P34913 1/20 0.36
PTGER1 P34995 1/20 0.36
PRKDC P78527 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL347825 0.73 CYP11B2 (0.36) PIK3CDRARGKDM4ETDP1L3MBTL1
SCHEMBL2725465 0.68 SMN1; SMN2 (0.55) KMOCSNK2A1PIK3CAEGLN1POLB
SCHEMBL4785947 0.67 CHEK1 (0.45) MAT2AEGLN1MEN1KMT2AKDM4E
SCHEMBL10132421 0.67 CSNK2A1 (0.70) CSNK2A1
SCHEMBL4782350 0.66 CHEK1 (0.44) MAT2AEGLN1MEN1KMT2AKDM4E
SCHEMBL27743819 0.66 LMNA (0.52) PIK3CAPIK3CBPIK3CGEPHX2PRKDC
SCHEMBL27576003 0.65 MGLL (0.44)
SCHEMBL13011175 0.65 KDM4E (0.47) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL60648 0.64 KMO (0.67) KMOPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20564327 0.64 NPC1 (0.59) PIK3CAPIK3CDPIK3CBPIK3CGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KMO 1610/4885CSNK2A1 2475/4885PIK3CA 1435/4885

“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.