SCHEMBL427254

SCHEMBL427254

O=C(Nc1ccc(OCc2ccccc2)cc1)n1ccc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 4/20 0.53
LTA4H P09960 3/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
FAAH O00519 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL427247 0.84 SCN4A (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL426672 0.82 ALDH1A1 (0.69) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL427240 0.82 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL424289 0.81 RAB9A (0.58) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL426687 0.80 ALDH1A1 (0.69) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL12507772 0.75 KCNJ6 (0.62) ALDH1A1MEN1KMT2APTPN1
SCHEMBL22246679 0.74 ALDH1A1 (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL4666205 0.74 RAB9A (0.74) RAB9ASMN1; SMN2ALDH1A1NPC1LTA4H
SCHEMBL29010239 0.73 SCN4A (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL21295527 0.72 MEN1 (0.77) RAB9ASMN1; SMN2ALDH1A1NPC1LTA4H

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 6 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-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
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 RAB9A 2266/4885SMN1; SMN2 2818/4885ALDH1A1 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.