SCHEMBL14770646

SCHEMBL14770646

COc1ccc(C(C)c2nc3cc(OC(F)F)ccc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39
ATP1A4 Q13733 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 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
SCHEMBL14770660 0.90 MLKL (0.42) SCN10ALMNAMEN1KMT2ANPC1
SCHEMBL14770549 0.90 ALDH1A1 (0.42) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL14770638 0.86 SCN10A (0.52) SCN10ALMNAPTGESALOX5LTC4S
SCHEMBL14770699 0.86 MLKL (0.46) SCN10AATP4AATP4BATP1A1ATP1B1
SCHEMBL14770492 0.85 AMY1A (0.41) SCN10ALMNAMEN1KMT2ANPC1
SCHEMBL14770535 0.82 MEN1 (0.53) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL14770613 0.82 FLT3 (0.40) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL14770550 0.82 FLT3 (0.40) LMNAMEN1KMT2APTGESALOX5
SCHEMBL14770640 0.81 SCN10A (0.44) SCN10AMEN1KMT2ARAB9APTGES
SCHEMBL14770630 0.81 AMY1A (0.42) SCN10ALMNAMEN1KMT2APTGES

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A SCN10A 85/4885ATP4A 302/4885ATP4B 456/4885

“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.