SCHEMBL1858952

SCHEMBL1858952

O=C(O)C(=O)N(Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
FAAH O00519 3/20 0.56
KMT2A Q03164 1/20 0.54
KLF5 Q13887 2/20 0.53
PKM P14618 1/20 0.52
PAX8 Q06710 1/20 0.52
NAMPT P43490 1/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTR5A P47898 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.49
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48

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
SCHEMBL5045742 0.89 NPC1 (0.65) NPC1RAB9AFAAHKMT2AKLF5
SCHEMBL5039677 0.85 NPC1 (0.68) NPC1RAB9AFAAHKMT2AKLF5
SCHEMBL5039674 0.83 NPC1 (0.68) NPC1RAB9AFAAHKMT2AKLF5
SCHEMBL1850416 0.82 HPGD (0.53) RAB9AKMT2ALMNAALDH1A1TSHR
SCHEMBL1854758 0.81 MCHR1 (0.52) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL11717444 0.80 NPC1 (0.76) NPC1RAB9AFAAHKMT2AKLF5
SCHEMBL5043725 0.78 RAB9A (0.58) NPC1RAB9AFAAHKMT2AKLF5
SCHEMBL1855588 0.78 MEN1 (0.52) NPC1RAB9AKMT2AMAPTPTGES
SCHEMBL30666147 0.78 NPC1 (1.00) NPC1RAB9AKMT2AKLF5PKM
SCHEMBL17822164 0.78 NPC1 (1.00) NPC1RAB9AKMT2AKLF5PKM

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 7 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
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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 NPC1 2286/4885RAB9A 2333/4885FAAH 160/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NPC1 2939/4885RAB9A 3290/4885FAAH 1131/4885

“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.