SCHEMBL4628709

SCHEMBL4628709

N=C(NC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP19A1 P11511 1/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 3/20 0.52
GPR55 Q9Y2T6 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LTA4H P09960 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ADCYAP1R1 P41586 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL4629221 0.88 NPC1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628689 0.86 RAB9A (0.75) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4627483 0.84 TAS1R3 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628673 0.83 NPC1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628976 0.83 NPC1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628799 0.83 NPC1 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4627493 0.83 NPC1 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628977 0.80 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4627472 0.78 RAB9A (0.79) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4628715 0.77 SCN2A (0.72) MEN1KMT2ANPC1RAB9ASMN1; 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 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 MEN1 1819/4885KMT2A 3245/4885NPC1 140/4885

“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.