SCHEMBL1856445

SCHEMBL1856445

CCCCCCCCCCCc1noc(-c2cccc(CNCc3cccc(-c4ccccc4)c3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SPHK1 Q9NYA1 4/20 0.47
SPHK2 Q9NRA0 3/20 0.47
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
VSIR Q9H7M9 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 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
SCHEMBL1854677 0.95 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1853900 0.95 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1853630 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1854299 0.86 SPHK1 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1853006 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL6719243 0.86 SPHK1 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1858451 0.85 SPHK1 (0.41) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
Hydrochloric Acid SCHEMBL1856212 0.85 SPHK1 (0.44) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1855102 0.84 SPHK1 (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1852584 0.84 SPHK1 (0.40) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT

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 3733/4885SMN1; SMN2 4878/4885KDM4E 249/4885

“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.