SCHEMBL1856548

SCHEMBL1856548

CCCCCCCCc1noc(-c2ccc(C=O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SPHK1 Q9NYA1 3/20 0.48
CHRM2 P08172 7/20 0.45
CHRM4 P08173 7/20 0.45
CHRM5 P08912 7/20 0.45
CHRM1 P11229 7/20 0.45
CHRM3 P20309 7/20 0.45
SPHK2 Q9NRA0 3/20 0.41
S1PR1 P21453 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL1312815 1.00 ALDH1A1 (0.56) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1858866 1.00 ALDH1A1 (0.56) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1858819 0.85 ALDH1A1 (0.51) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4737115 0.83 S1PR1 (0.63) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11338689 0.82 ALDH1A1 (0.56) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27619399 0.82 ALDH1A1 (0.56) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6820556 0.82 ALDH1A1 (0.56) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6805181 0.80 MAPT (0.54) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6805184 0.80 ALDH1A1 (0.54) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12117878 0.80 NPC1 (0.54) ALDH1A1NPC1MAPTRAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 ALDH1A1 3733/4885NPC1 2939/4885MAPT 4575/4885

“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.