SCHEMBL3780178

SCHEMBL3780178

CCCCOC(=O)c1nc(-c2ccccc2)c2c(Cn3ccc4ccccc43)nsc2c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KMT2A Q03164 1/20 0.32
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3406929 0.80 EGFR (0.43) EGFRL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL3782987 0.79 EGLN1 (0.54) EGLN1
SCHEMBL3401611 0.77 EGFR (0.43) EGFRL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL3400564 0.76 EGFR (0.42) EGFRL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL3406381 0.75 GPR84 (0.42)
SCHEMBL3404112 0.74 EGFR (0.43) EGFRL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL3404578 0.73 EGFR (0.43) EGFRL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL1973776 0.71 EGFR (0.45) EGFRL3MBTL1GAACNR2PPARG
SCHEMBL1978256 0.70 MAPT (0.48) EGFRL3MBTL1GAACNR2TSHR
SCHEMBL3402134 0.69 EGFR (0.39) EGFRL3MBTL1CHRM2CHRM4CHRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387200-B2 Isothiazole-pyridine derivatives as modulators of HIF (hypoxia inducible factor) activity FIBROGEN, INC. (US) 2016-07-12 US disclosed
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. 2015-07-30 US disclosed
US-8952160-B2 Isothiazole-pyridine derivatives as modulators of HIF (hypoxia inducible factor) activity FIBROGEN, INC. (US) 2015-02-10 US disclosed
EP-2252619-B1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN INC (US) 2013-10-09 EP disclosed
US-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY FIBROGEN, INC. 2010-12-30 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-20100330199-A1 ISOTHIAZOLE-PYRIDINE DERIVATES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 EGFR 1343/4885L3MBTL1 4161/4885CHRM2 4853/4885
US-20150209336-A1 ISOTHIAZOLE-PYRIDINE DERIVATIVES AS MODULATORS OF HIF (HYPOXIA INDUCIBLE FACTOR) ACTIVITY HIF1A, HIF1AN, EGLN3 EGFR 1363/4885L3MBTL1 4160/4885CHRM2 4828/4885

“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.