SCHEMBL4628455

SCHEMBL4628455

CCCCOc1ccc(C(=O)NC(=N)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
POLB P06746 1/20 0.62
ACHE P22303 3/20 0.61
MAPT P10636 3/20 0.59
CDK4 P11802 3/20 0.59
CCND1 P24385 3/20 0.59
BCHE P06276 2/20 0.59
KCNA5 P22460 1/20 0.58
KCNH2 Q12809 1/20 0.58
SIRT1 Q96EB6 3/20 0.57
MTNR1A P48039 2/20 0.57
TRPV1 Q8NER1 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL4628422 0.80 MAPT (0.71) NPC1RAB9APOLBACHEMAPT
SCHEMBL15151736 0.78 MEN1 (0.64) NPC1RAB9APOLBACHECDK4
SCHEMBL4629252 0.77 NPC1 (0.69) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL26429907 0.77 SIRT1 (0.73) NPC1RAB9APOLBACHEMAPT
SCHEMBL10824173 0.77 MTNR1A (0.69) NPC1RAB9APOLBMAPTKCNA5
SCHEMBL13645785 0.77 MTNR1A (0.69) NPC1RAB9ASIRT1MTNR1AKDM4E
SCHEMBL4627416 0.77 NPC1 (0.67) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL4628732 0.76 KMT2A (0.66) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL4628766 0.74 NPC1 (0.61) NPC1RAB9APOLBMAPTKDM4E
SCHEMBL6516526 0.74 GPR84 (0.61) NPC1RAB9APOLBACHEMAPT

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
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA NPC1 140/4885RAB9A 617/4885POLB 2690/4885

“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.