SCHEMBL427661

SCHEMBL427661

CN(C(=O)n1cnc(Cc2ccccc2)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 7/20 0.44
TRPV1 Q8NER1 4/20 0.44
DAGLA Q9Y4D2 3/20 0.44
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TRPA1 O75762 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL427271 0.71 LIPE (0.58) SMN1; SMN2MGLLKMT2AALDH1A1LMNA
SCHEMBL19468081 0.71 NR1H2 (0.35) SMN1; SMN2NR1H2NR1H3ALDH1A1
SCHEMBL427439 0.70 ALDH1A1 (0.44) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL424517 0.69 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL424347 0.69 LIPE (0.56) SMN1; SMN2MGLLKMT2AKDM4EALDH1A1
SCHEMBL425530 0.69 ELANE (0.47) SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL425384 0.68 LMNA (0.52) SMN1; SMN2MGLLKMT2AKDM4EALDH1A1
SCHEMBL2182855 0.68 MGLL (0.85) MGLLTRPV1DAGLATRPA1
SCHEMBL18780849 0.66 LMNA (0.52) KMT2AALDH1A1LMNA
SCHEMBL426663 0.66 SCN4A (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1

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 SMN1; SMN2 2818/4885MGLL 11/4885TRPV1 165/4885

“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.