SCHEMBL428323

SCHEMBL428323

CC(=O)N(C)c1ccc(N2CCOCC2)c(CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
PTBP1 P26599 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
AKR1C3 P42330 2/20 0.41
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CA P42336 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
SCHEMBL425066 0.89 AKR1C3 (0.50) ALDH1A1NPC1LMNAMAPTSMN1; SMN2
SCHEMBL10287453 0.88 ALDH1A1 (0.42) ALDH1A1NPC1LMNAMAPTSMN1; SMN2
SCHEMBL792372 0.85 HSP90AA1 (0.43) ALDH1A1NPC1LMNAMAPTSMN1; SMN2
SCHEMBL428806 0.84 PRKDC (0.40) ALDH1A1NPC1LMNAMAPTSMN1; SMN2
SCHEMBL10252524 0.74 HSP90AA1 (0.41) ALDH1A1NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL792304 0.73 HSP90AA1 (0.43) ALDH1A1NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL792383 0.72 HRH3 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL1075504 0.69 MEN1 (0.39) ALDH1A1NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL792292 0.68 ALDH1A1 (0.38) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL15627613 0.68 HPGD (0.51) ALDH1A1NPC1LMNAMAPTSMN1; SMN2

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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 (2 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885NPC1 1268/4885LMNA 4306/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885NPC1 1268/4885LMNA 4306/4885

“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.