SCHEMBL1854677

SCHEMBL1854677

CCCCCCCCCCCc1noc(-c2ccc(CNCc3cccc(-c4ccccc4)c3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 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 4/20 0.49
SPHK2 Q9NRA0 3/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
VSIR Q9H7M9 2/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL1853900 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1856445 0.95 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1853630 0.90 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1855785 0.88 SPHK1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1853473 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1858717 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6719243 0.85 SPHK1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1857980 0.85 SPHK1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1857829 0.85 SPHK1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL1856212 0.84 SPHK1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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 SMN1; SMN2 4878/4885NPC1 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.