SCHEMBL1858819

SCHEMBL1858819

CCCCCCCCCCCc1noc(-c2cccc(C=O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM2 P08172 7/20 0.46
CHRM4 P08173 7/20 0.46
CHRM5 P08912 7/20 0.46
CHRM1 P11229 7/20 0.46
CHRM3 P20309 7/20 0.46
BRD4 O60885 1/20 0.43
SPHK1 Q9NYA1 3/20 0.43
SPHK2 Q9NRA0 2/20 0.43
TDP1 Q9NUW8 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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 0.85 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1856548 0.85 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1858866 0.85 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5045658 0.82 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6725997 0.81 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL94737 0.80 SPHK2 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL94738 0.77 SPHK2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2095926 0.77 SPHK2 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1856445 0.77 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16572028 0.76 PPARA (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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-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
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN 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 2939/4885RAB9A 3290/4885

“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.