SCHEMBL425409

SCHEMBL425409

COc1cccc(-c2cn(C(=O)N(C)c3ccccc3)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.50
FAAH O00519 1/20 0.49
HSD17B1 P14061 5/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL425544 0.89 FAAH (0.52) FAAHMAPTTP53ALDH1A1
SCHEMBL426694 0.89 ACHE (0.49) FAAHLMNAKMT2AMAPTKDM4E
SCHEMBL425371 0.88 FAAH (0.60) FAAHLMNAKMT2ATP53GAA
SCHEMBL427476 0.85 FAAH (0.57) FAAHLMNAKMT2ATP53GAA
SCHEMBL425420 0.84 FAAH (0.52) HSD17B2FAAHHSD17B1KDM4ESMN1; SMN2
SCHEMBL16433071 0.82 STIM1 (0.48) LMNAKMT2AMAPTTP53GAA
SCHEMBL425535 0.82 FAAH (0.49) FAAHLMNATP53KDM4ENPC1
SCHEMBL425399 0.82 RAB9A (0.43) FAAHLMNAKMT2AMAPTKDM4E
SCHEMBL14946883 0.81 ALDH1A1 (0.50) LMNAKMT2AMAPTTP53GAA
SCHEMBL426698 0.80 FAAH (0.52) FAAHLMNAKMT2AMAPTTP53

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-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
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 (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 HSD17B2 646/4885FAAH 1/4885HSD17B1 555/4885

“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.