SCHEMBL14770539

SCHEMBL14770539

CCOc1cc2nc(C(C)c3ccc(OCc4cc(F)ccc4F)cc3)[nH]c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.45
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN1 Q9GZT9 1/20 0.36
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
POLB P06746 1/20 0.35
SYK P43405 1/20 0.34
ITK Q08881 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
LTC4S Q16873 1/20 0.33

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
SCHEMBL14770536 0.95 CACNA1C (0.45) CACNA1CMEN1HTTKMT2AF10
SCHEMBL14770538 0.90 CACNA1C (0.40) CACNA1CMEN1HTTKMT2ACYP1A1
SCHEMBL12065292 0.89 CACNA1C (0.43) CACNA1CMEN1HTTKMT2AEGLN1
SCHEMBL14770526 0.89 CACNA1C (0.48) CACNA1CMEN1HTTKMT2APOLB
SCHEMBL14770531 0.87 CACNA1C (0.40) CACNA1CMEN1HTTKMT2APOLB
SCHEMBL14770540 0.85 CACNA1C (0.45) CACNA1CMEN1HTTKMT2APOLB
SCHEMBL14774015 0.84 CACNA1C (0.44) CACNA1CMEN1HTTKMT2AEGLN1
SCHEMBL14770527 0.83 CACNA1C (0.38) CACNA1CMEN1KMT2APOLBCYP1A1
SCHEMBL14770530 0.83 CACNA1C (0.38) CACNA1CMEN1HTTKMT2APOLB
SCHEMBL14770537 0.83 CACNA1C (0.38) CACNA1CMEN1HTTKMT2ACYP1A1

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 CACNA1C 16/4885MEN1 2676/4885HTT 3959/4885

“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.