SCHEMBL1856432

SCHEMBL1856432

N#Cc1cccc(CN(Cc2ccc(-c3cccc(C(=O)NCCCc4ccccc4)c3)cc2)C(=O)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4B O94953 1/20 0.46
NAMPT P43490 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
KAT6A Q92794 2/20 0.42
FAAH O00519 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1858105 0.90 NAMPT (0.44) NAMPTSIGMAR1GAATMEM97
SCHEMBL1853253 0.90 NAMPT (0.44) NAMPTSIGMAR1GAATMEM97
SCHEMBL1854548 0.90 GAA (0.45) NPC1RAB9AALDH1A1HPGDMMP12
SCHEMBL1855554 0.87 EPHX2 (0.45) MMP12MMP13
SCHEMBL1855533 0.86 GPR139 (0.43) SIGMAR1ALDH1A1MMP12MMP13MEN1
SCHEMBL1851611 0.86 GAA (0.43) NPC1RAB9ASIGMAR1MMP12MMP13
SCHEMBL5047546 0.85 NPC1 (0.50) F10NPC1RAB9AKDM4BNAMPT
SCHEMBL1854024 0.81 NAAA (0.49) NAMPTSIGMAR1GAATMEM97
SCHEMBL1855755 0.81 TMEM97 (0.51) F10NPC1RAB9AKDM4BNAMPT
SCHEMBL6022596 0.80 F10 (0.49) F10NPC1RAB9AKDM4BNAMPT

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 9 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 claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US 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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 F10 1295/4885NPC1 2286/4885RAB9A 2333/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 F10 4164/4885NPC1 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.