SCHEMBL427076

SCHEMBL427076

CN(C(=O)n1cnc2ccccc21)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ASAH1 Q13510 6/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.48
APAF1 O14727 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
STAT6 P42226 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30723151 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL29145155 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL2184004 0.84 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL29145166 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL16596879 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL29145140 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL29145168 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL30723140 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL857765 0.77 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL24110361 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1MAPTHPGD

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 SMN1; SMN2 2818/4885ALDH1A1 294/4885NPC1 446/4885

“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.