SCHEMBL424563

SCHEMBL424563

O=C(N1CCCC1)n1cnc(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC6A3 Q01959 2/20 0.47
KMO O15229 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EIF4E P06730 1/20 0.41
GRIN2B Q13224 1/20 0.41
FAAH O00519 1/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PGR P06401 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
SCHEMBL427749 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL12781917 0.76 KMO (0.44) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL16894258 0.75 HPGD (0.52) HPGDALDH1A1KMOMEN1KMT2A
SCHEMBL14758597 0.73 KMO (0.57) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL427111 0.72 FAAH (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL14758656 0.71 KMO (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL425897 0.70 FAAH (0.47) NPC1RAB9AHPGDALDH1A1SLC6A3
SCHEMBL424568 0.69 HSP90AA1 (0.54) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL426612 0.69 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL427009 0.68 HRH3 (0.42) ALDH1A1

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 7 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
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 NPC1 446/4885RAB9A 2266/4885SMN1; SMN2 2818/4885

“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.