SCHEMBL425435

SCHEMBL425435

O=C(N1CCCc2ccccc21)n1cnc(-c2cccc(O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
RECQL P46063 2/20 0.45
NOTUM Q6P988 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
POLB P06746 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
SCHEMBL424291 0.90 RECQL (0.55) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL425419 0.85 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL424298 0.83 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAMAPTRECQL
SCHEMBL4019697 0.72 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1MAPTTSHRNOTUM
SCHEMBL1855923 0.70 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTTSHRNOTUM
SCHEMBL4869798 0.68 LMNA (0.69) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL24937726 0.67 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTTSHRNOTUM
SCHEMBL425650 0.66 HPGD (0.53) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL1940166 0.66 PDE4B (0.59) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL427643 0.66 HSD17B1 (0.37) SMN1; SMN2ALDH1A1TSHRRAB9A

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 5 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
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 2818/4885ALDH1A1 294/4885LMNA 2523/4885

“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.