SCHEMBL14770534

SCHEMBL14770534

CC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccncc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.37
CACNA1C Q13936 1/20 0.37
PKM P14618 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 2/20 0.34
PDE5A O76074 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
NOS2 P35228 1/20 0.34
NR3C1 P04150 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL14770528 0.87 NPC1 (0.42) SMN1; SMN2CACNA1CPKMTP53RAB9A
SCHEMBL12066054 0.87 CACNA1C (0.39) SMN1; SMN2KDM4EALDH1A1CACNA1CPKM
SCHEMBL14770531 0.87 CACNA1C (0.40) KDM4EALDH1A1CACNA1CMEN1HTT
SCHEMBL14770538 0.86 CACNA1C (0.40) KDM4EALDH1A1CACNA1CAAK1MEN1
SCHEMBL14763004 0.84 RAB9A (0.36) SMN1; SMN2ALDH1A1CACNA1CPKMAAK1
SCHEMBL14770527 0.83 CACNA1C (0.38) SMN1; SMN2CACNA1CRAB9AMEN1KMT2A
SCHEMBL14770532 0.83 AMY1A (0.38) SMN1; SMN2ALDH1A1CACNA1CPKMTP53
SCHEMBL14770537 0.83 CACNA1C (0.38) SMN1; SMN2KDM4EALDH1A1CACNA1CPKM
SCHEMBL14770530 0.83 CACNA1C (0.38) KDM4EALDH1A1CACNA1CMEN1HTT
SCHEMBL14770533 0.82 CACNA1C (0.39) CACNA1CDPP4DPP8NOS2CYP1A1

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 SMN1; SMN2 1964/4885KDM4E 4045/4885ALDH1A1 4252/4885

“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.