SCHEMBL427448

SCHEMBL427448

COc1cccc(NC(=O)n2ccc(-c3ccc(-c4ccccc4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 5/20 0.50
HTT P42858 1/20 0.50
NLRP3 Q96P20 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.48
FAAH O00519 1/20 0.48
USP2 O75604 1/20 0.47
SCN4A P35499 1/20 0.47

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
SCHEMBL424289 0.87 RAB9A (0.58) TRPV1KDM4EGAARAB9ASMN1; SMN2
SCHEMBL427395 0.84 RAB9A (0.58) TRPV1GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL426687 0.84 ALDH1A1 (0.69) KDM4ERAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL426672 0.81 ALDH1A1 (0.69) KDM4ERAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL427240 0.81 SMN1; SMN2 (0.68) TRPV1KDM4EGAARAB9ASMN1; SMN2
SCHEMBL427247 0.78 SCN4A (0.64) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4253111 0.74 TRPV1 (1.00) TRPV1KDM4EGAARAB9ASMN1; SMN2
SCHEMBL4052118 0.73 POLB (0.69) POLBMAPT
SCHEMBL427254 0.71 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22246679 0.71 ALDH1A1 (0.54) TRPV1KDM4EGAARAB9ASMN1; 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 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 TRPV1 165/4885KDM4E 1982/4885GAA 184/4885

“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.