SCHEMBL5657793

SCHEMBL5657793

COc1cc2cccc(C(=O)O)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
CDC25B P30305 2/20 0.46
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDR P35968 1/20 0.43
NNMT P40261 1/20 0.42
LMNA P02545 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 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
SCHEMBL5658379 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDKDRNNMT
SCHEMBL2747310 0.79 PPARG (0.48) PTPN1CDC25BKDRMEN1KMT2A
SCHEMBL30217799 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10NR4A1
SCHEMBL14893936 0.76 PTPN1 (0.51) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL13458882 0.76 CYP1A2 (0.53) KDM4EALDH1A1HPGDHSD17B10NNMT
SCHEMBL12507904 0.75 KDM4E (0.45) KDM4EPDE10A
SCHEMBL5658966 0.75 MEN1 (0.45) KDM4EALDH1A1POLBTDP1NNMT
SCHEMBL5657797 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30480784 0.74 KDM4E (0.47) KDM4E
SCHEMBL19663432 0.74 KDM4E (0.47) KDM4EHPGDKDR

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.