SCHEMBL5658379

SCHEMBL5658379

COC(=O)c1cccc2cc(OC)ncc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SCN9A Q15858 1/20 0.45
KDR P35968 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LCK P06239 1/20 0.43
PSMD14 O00487 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NNMT P40261 1/20 0.41

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
SCHEMBL5657793 0.87 KDM4E (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL21836978 0.84 LCK (0.47) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL16154997 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL14893578 0.82 ALDH1A1 (0.46) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL14894015 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL21837070 0.81 SCN9A (0.43) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL2747219 0.79 PDE4B (0.53) KMT2AMEN1SCN9AKDRLCK
SCHEMBL19733167 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL29403597 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL6761980 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNPSR1KMT2A

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 KDM4E 3121/4885ALDH1A1 1267/4885HPGD 699/4885

“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.