SCHEMBL1853473

SCHEMBL1853473

CCCCCCCCc1noc(-c2ccc(CNCCc3ccc(-c4ccccc4)cc3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SPHK1 Q9NYA1 3/20 0.52
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
S1PR1 P21453 8/20 0.45
S1PR3 Q99500 6/20 0.45
S1PR2 O95136 5/20 0.45
LPAR2 Q9HBW0 2/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL1858717 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1853630 0.92 ALDH1A1 (0.51) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1853900 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1854677 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL6718257 0.86 SPHK1 (0.50) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1854192 0.85 MEN1 (0.47) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1854885 0.85 MEN1 (0.47) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1855983 0.85 SPHK1 (0.49) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1852212 0.85 SPHK1 (0.49) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL1855641 0.84 SPHK1 (0.50) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
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 SMN1; SMN2 4878/4885NPC1 2939/4885ALDH1A1 3733/4885

“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.