SCHEMBL2049847

SCHEMBL2049847

CCCn1nccc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 6/20 0.44
GAA P10253 4/20 0.44
GLA P06280 2/20 0.44
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
USP2 O75604 1/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2049844 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL10475743 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2053197 0.75 NR3C2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2050987 0.72 HPGD (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL12681366 0.71 NR3C2 (0.50) ALDH1A1HPGDHSD17B10TSHRCASP1
SCHEMBL5649590 0.70 HPGD (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2049849 0.70 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL15974090 0.70 KDM4E (0.45) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL793339 0.67 ALDH1A1 (0.59) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL9198888 0.67 KDM4E (0.46) KDM4EALDH1A1HPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 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 (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-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 KDM4E 2907/4885ALDH1A1 1184/4885HPGD 3111/4885

“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.