SCHEMBL1854430

SCHEMBL1854430

COC(=O)c1ccccc1-c1ccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.71
SLC6A4 P31645 3/20 0.71
SLC6A2 P23975 1/20 0.62
ALDH1A1 P00352 3/20 0.58
CFTR P13569 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ROCK2 O75116 1/20 0.51
CSF1R P07333 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK5 Q00535 1/20 0.51
ROCK1 Q13464 1/20 0.51
SLK Q9H2G2 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL31318316 0.86 SLC6A3 (0.78) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL1775832 0.85 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL27843639 0.85 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL249 0.84 SLC6A3 (0.73) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL8923988 0.84 SLC6A3 (0.73) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL68818 0.84 SLC6A3 (0.73) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL12004914 0.84 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
Bicarbonate SCHEMBL27467504 0.84 SLC6A3 (0.72) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
Phosphine SCHEMBL11469830 0.84 SLC6A3 (0.72) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL5700615 0.84 SLC6A3 (0.72) SLC6A3SLC6A4SLC6A2ROCK2CSF1R

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 8 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
US-5187168-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 US disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 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 (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 SLC6A3 3511/4885SLC6A4 3381/4885SLC6A2 4390/4885

“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.