SCHEMBL14938255

SCHEMBL14938255

COc1ccc(-c2cn(C(=O)N(C)C3CCCC3)cn2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
CES2 O00748 1/20 0.54
ALDH1A1 P00352 8/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
POLB P06746 4/20 0.41
PKM P14618 1/20 0.39
GLA P06280 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL445900 0.99 FAAH (0.55) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14937556 0.93 FAAH (0.46) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL427870 0.87 FAAH (0.58) FAAHCES2POLBATMPSEN1
SCHEMBL425460 0.86 FAAH (0.58) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL424561 0.86 FAAH (0.59) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL426018 0.86 FAAH (0.46) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL427769 0.85 FAAH (0.57) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL427920 0.84 FAAH (0.55) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14937980 0.84 FAAH (0.61) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL424691 0.83 FAAH (0.56) FAAHCES2ALDH1A1SMN1; SMN2NPC1

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
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 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

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 FAAH 2166/4885CES2 463/4885ALDH1A1 3556/4885

“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.