SCHEMBL5658059

SCHEMBL5658059

NC(=O)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.73
NPC1 O15118 1/20 0.73
HPGDS O60760 1/20 0.68
PTPN1 P18031 1/20 0.59
PTPN6 P29350 1/20 0.59
PTPN11 Q06124 1/20 0.59
NNMT P40261 3/20 0.50
LDHA P00338 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC2 Q92769 1/20 0.48
PTGS1 P23219 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
GABRA5 P31644 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
P4HA1 P13674 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
MAOB P27338 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
SCHEMBL2947695 0.84 NPC1 (0.75) RXFP1NPC1HPGDSPTPN1PTPN6
SCHEMBL12647420 0.83 HPGDS (0.55) RXFP1NPC1HPGDSNNMTLDHA
SCHEMBL11009430 0.83 MAP4K4 (0.60) RXFP1NPC1HPGDSNNMTLDHA
SCHEMBL1758258 0.83 LDHA (0.69) RXFP1NPC1HPGDSPTPN1NNMT
SCHEMBL30436727 0.83 NPC1 (0.73) RXFP1NPC1HPGDSPTPN1PTPN6
SCHEMBL22309130 0.83 NPC1 (0.73) RXFP1NPC1HPGDSPTPN1PTPN6
SCHEMBL1246554 0.82 LDHA (0.73) RXFP1NPC1HPGDSNNMTLDHA
SCHEMBL29586559 0.82 LDHA (0.73) RXFP1NPC1HPGDSNNMTLDHA
SCHEMBL1758193 0.82 P2RY14 (0.58) RXFP1NPC1HPGDSNNMTLDHA
SCHEMBL30116583 0.82 P2RY14 (0.58) RXFP1NPC1HPGDSNNMTLDHA

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
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 RXFP1 130/4885NPC1 959/4885HPGDS 987/4885

“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.