SCHEMBL4628463

SCHEMBL4628463

CC(C)(C)c1ccc(NC(=N)NC(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
BCAT2 O15382 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TRPV1 Q8NER1 4/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL4627548 0.87 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14095973 0.85 SIRT1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL4629422 0.83 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4629228 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4629409 0.81 CNR2 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7294922 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8895496 0.75 F7 (0.46) SMN1; SMN2MEN1KMT2ATRPV1EPHX2
Hydrochloric Acid SCHEMBL8895909 0.74 F7 (0.45) SMN1; SMN2MEN1KMT2ATRPV1EPHX2
SCHEMBL4628467 0.73 SCN2A (0.52) NPC1RAB9ASMN1; SMN2BCAT2ALDH1A1
SCHEMBL4628524 0.73 NAMPT (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
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 617/4885SMN1; SMN2 53/4885

“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.