SCHEMBL445900

SCHEMBL445900

COc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
CES2 O00748 1/20 0.55
ALDH1A1 P00352 8/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
POLB P06746 3/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
KCNH2 Q12809 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PKM P14618 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL14938255 0.99 FAAH (0.54) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14937556 0.92 FAAH (0.46) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL425460 0.87 FAAH (0.58) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL424561 0.87 FAAH (0.59) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL427769 0.87 FAAH (0.57) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL427870 0.86 FAAH (0.58) FAAHCES2POLBPSEN1PSEN2
SCHEMBL426018 0.85 FAAH (0.46) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL424691 0.84 FAAH (0.56) FAAHCES2ALDH1A1SMN1; SMN2NPC1
SCHEMBL425833 0.84 FAAH (0.56) FAAHCES2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14937908 0.84 FAAH (0.63) FAAHCES2ALDH1A1MAPTSMN1; SMN2

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
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885ALDH1A1 294/4885

“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.