SCHEMBL526132

SCHEMBL526132

COc1ccc(-c2cn(C(=O)N(C)C3CCC(OCc4ccccc4)CC3)cn2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.41
CES2 O00748 1/20 0.41
XDH P47989 3/20 0.40
RET P07949 2/20 0.40
TBK1 Q9UHD2 4/20 0.38
IKBKE Q14164 3/20 0.38
ACACB O00763 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
F11 P03951 1/20 0.36

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
SCHEMBL14938160 1.00 KDM4E (0.41) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL428137 0.86 CHRM4 (0.46) KDM4EL3MBTL1FAAHCES2RET
SCHEMBL427990 0.85 FAAH (0.52) FAAHCES2
SCHEMBL14938027 0.85 FAAH (0.51) FAAHCES2XDH
SCHEMBL424218 0.84 FAAH (0.54) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL14937638 0.82 XDH (0.46) FAAHCES2XDHRET
SCHEMBL14937905 0.82 TBK1 (0.45) FAAHCES2XDHTBK1IKBKE
SCHEMBL14937794 0.80 FAAH (0.47) FAAHCES2
SCHEMBL14937796 0.80 FAAH (0.47) FAAHCES2
SCHEMBL14937999 0.79 FAAH (0.43) FAAHCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 KDM4E 667/4885ALDH1A1 3556/4885GAA 2477/4885

“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.