SCHEMBL1853006

SCHEMBL1853006

CCCCCCCCCCCc1noc(-c2cccc(CNCc3ccccc3OC)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
NPY2R P49146 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 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
SCHEMBL1853076 0.89 SPHK1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL1853005 0.89 SPHK1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL1856445 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL1858451 0.84 SPHK1 (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL1854447 0.83 ACHE (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1854677 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL1853900 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL1855102 0.81 SPHK1 (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1854517 0.81 SPHK2 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1852584 0.81 SPHK1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDSPHK2

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 ALDH1A1 3733/4885KDM4E 249/4885MEN1 2496/4885

“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.