SCHEMBL14770540

SCHEMBL14770540

CCOc1cccc2nc(C(C)c3ccc(OCc4cc(F)ccc4F)cc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.45
CYP1A2 P05177 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
POLB P06746 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 2/20 0.34
GYS1 P13807 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL12065309 0.89 CACNA1C (0.43) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770536 0.86 CACNA1C (0.45) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770539 0.85 CACNA1C (0.45) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770528 0.83 NPC1 (0.42) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770526 0.83 CACNA1C (0.48) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770531 0.81 CACNA1C (0.40) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770538 0.80 CACNA1C (0.40) CACNA1CCYP1A2CYP1A1CYP1B1LMNA
SCHEMBL14770527 0.78 CACNA1C (0.38) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770530 0.78 CACNA1C (0.38) CACNA1CCYP1A2CYP1A1CYP1B1POLB
SCHEMBL14770537 0.78 CACNA1C (0.38) CACNA1CCYP1A2CYP1A1CYP1B1LMNA

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 16/4885CYP1A2 2887/4885CYP1A1 2192/4885

“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.