SCHEMBL4628945

SCHEMBL4628945

N=C(NC(=O)c1ccco1)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.58
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
LTA4H P09960 3/20 0.54
PKM P14618 1/20 0.51

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
SCHEMBL4628689 0.85 RAB9A (0.75) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL4979973 0.80 MEN1 (0.69) GPR55NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4628742 0.80 LTA4H (0.63) GPR55NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4628976 0.80 NPC1 (0.63) GPR55NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4628799 0.80 NPC1 (0.56) GPR55NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4628673 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4629221 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4627493 0.80 NPC1 (0.56) GPR55NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4629265 0.79 MEN1 (0.59) GPR55NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4628987 0.79 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53MAPT

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
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

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 GPR55 2942/4885NPC1 140/4885RAB9A 617/4885

“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.