SCHEMBL921133

SCHEMBL921133

CCCc1ccc(CNC(=O)c2ccc(COC)nc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
MAPK1 P28482 1/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
POLB P06746 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL920715 0.95 EGLN1 (0.40) TSHRGALR3NR2F2HPGDALDH1A1
SCHEMBL921221 0.93 TRPV1 (0.42) TSHRGALR3NR2F2MAPK1HPGD
SCHEMBL921893 0.92 TRPV1 (0.46) GALR3NR2F2MAPK1HPGDALDH1A1
SCHEMBL920222 0.91 TRPV1 (0.45) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1680395 0.90 GALR3 (0.38) TSHRGALR3NR2F2MAPK1HPGD
SCHEMBL13070411 0.90 ALDH1A1 (0.48) GALR3NR2F2MAPK1HPGDALDH1A1
SCHEMBL1680492 0.89 EGLN1 (0.43) GALR3NR2F2MAPK1HPGDALDH1A1
SCHEMBL12352570 0.89 GALR3 (0.38) GALR3NR2F2MAPK1HPGDALDH1A1
SCHEMBL920800 0.88 LMNA (0.40) HPGDEGLN1LMNASMN1; SMN2KMT2A
SCHEMBL1681046 0.88 GALR3 (0.39) GALR3NR2F2MAPK1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TSHR 2588/4885GALR3 4520/4885NR2F2 2795/4885

“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.