SCHEMBL1592745

SCHEMBL1592745

COc1cc(OC)cc(-c2c(C(C)=O)cnc(C)c2-c2ccc(F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 3/20 0.41
POLQ O75417 1/20 0.40
ATF1 P18846 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ADORA1 P30542 1/20 0.38
RXRA P19793 1/20 0.38
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1559570 0.88 TP53 (0.47) TP53NPC1RAB9AALDH1A1MAPT
SCHEMBL1593482 0.86 TP53 (0.44) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1560147 0.86 TP53 (0.48) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1559099 0.79 TP53 (0.45) TP53NPC1RAB9AALDH1A1MAPT
SCHEMBL1559543 0.78 TP53 (0.42) TP53NPC1RAB9AMAPTGRM5
SCHEMBL1560421 0.78 TP53 (0.42) TP53NPC1RAB9AMAPTGRM5
SCHEMBL1560195 0.76 MAPT (0.45) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1558934 0.74 NPC1 (0.41) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1560544 0.73 ALOX5AP (0.39) TP53NPC1RAB9AMAPT
SCHEMBL1558980 0.73 ALDH1A1 (0.43) TP53SMN1; SMN2ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092544-A1 FUNGICIDAL PYRIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-21 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-20110092544-A1 FUNGICIDAL PYRIDINES CBR3, CBR1, CYP8B1 TP53 4508/4885NPC1 367/4885RAB9A 2297/4885

“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.