SCHEMBL2299677

SCHEMBL2299677

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(O)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
STAT3 P40763 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
ESR2 Q92731 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
USP7 Q93009 4/20 0.34
EPHB4 P54760 1/20 0.34

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
SCHEMBL2300694 0.93 TLR8 (0.39) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2297571 0.92 TLR8 (0.37) MAPTKDM4ETP53
SCHEMBL2299443 0.91 TLR8 (0.38) MAPTKDM4E
SCHEMBL2298814 0.91 KDM4E (0.42) MAPTKDM4EALDH1A1TP53GAA
SCHEMBL3399430 0.90 GCGR (0.33) ESR1SMN1; SMN2MAPTNPC1STAT3
SCHEMBL2298472 0.90 RIPK3 (0.35) SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4
SCHEMBL2300163 0.89 SMN1; SMN2 (0.32) ESR1SMN1; SMN2MAPTNPC1STAT3
SCHEMBL2298208 0.89 TLR8 (0.34) ESR1SMN1; SMN2MAPTNPC1STAT3
SCHEMBL2298485 0.89 PDE4B (0.42) SMN1; SMN2MAPTKDM4EALDH1A1TP53
SCHEMBL3399600 0.88 HSD11B1 (0.34) SMN1; SMN2MAPTNPC1STAT3RAB9A

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
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 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 (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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 ESR1 1982/4885SMN1; SMN2 82/4885MAPT 299/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ESR1 1824/4885SMN1; SMN2 98/4885MAPT 424/4885

“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.