SCHEMBL5657603

SCHEMBL5657603

C1=CSC(c2cccs2)[N]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 6/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
NOS2 P35228 3/20 0.33
HPGD P15428 4/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
NOS3 P29474 2/20 0.32
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8086675 0.73 MEN1 (0.33) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL446332 0.67 ALDH1A1 (0.39) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL8551454 0.63
SCHEMBL497608 0.61
SCHEMBL18805408 0.61 NOS2 (0.40) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL29137485 0.61 ALDH1A1 (0.38) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL643612 0.60 ALDH1A1 (0.34) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13185230 0.60 MAPT (0.37) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL25425375 0.60
SCHEMBL3657117 0.60

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 3121/4885HTT 3751/4885TSHR 754/4885

“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.