SCHEMBL426013

SCHEMBL426013

COc1ccc(-c2cn(C(=O)N(C)C3CCN(Cc4ccccc4)CC3)cn2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CCR5 P51681 1/20 0.46
CFTR P13569 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
QPCT Q16769 1/20 0.45

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
SCHEMBL14950177 0.93 ALDH1A1 (0.45) KDM4EL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL427279 0.92 FAAH (0.45) KDM4EL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL427281 0.92 CHRM4 (0.44) KDM4EL3MBTL1SIGMAR1ALDH1A1RAB9A
SCHEMBL428137 0.90 CHRM4 (0.46) KDM4EL3MBTL1SIGMAR1DRD2DRD4
SCHEMBL427261 0.90 CHRM2 (0.53) SIGMAR1DRD2DRD4DRD3
SCHEMBL426018 0.89 FAAH (0.46) KDM4EL3MBTL1SIGMAR1ALDH1A1NPC1
SCHEMBL425057 0.89 TSHR (0.46) KDM4EL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL424816 0.89 DRD2 (0.57) SIGMAR1DRD2DRD4DRD3
SCHEMBL427891 0.88 FAAH (0.46) KDM4EALDH1A1CCR5QPCT
SCHEMBL428100 0.88 WNK1 (0.53) KDM4ESIGMAR1ALDH1A1CCR5DRD2

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 10 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
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
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US 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 (2 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 667/4885L3MBTL1 4687/4885SIGMAR1 347/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KDM4E 1982/4885L3MBTL1 4550/4885SIGMAR1 2636/4885

“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.