SCHEMBL14770544

SCHEMBL14770544

CC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
HSPB1 P04792 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BACE1 P56817 2/20 0.36
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
CACNA1C Q13936 1/20 0.35
KCNJ1 P48048 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 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
SCHEMBL14770531 0.89 CACNA1C (0.40) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL12065304 0.88 FFAR1 (0.37) AMY1AMEN1KMT2AUSP2POLB
SCHEMBL14770530 0.87 CACNA1C (0.38) AMY1AMEN1KMT2APOLBLMNA
SCHEMBL14762994 0.85 KCNJ1 (0.41) AMY1AMEN1KMT2APOLBLMNA
SCHEMBL14770527 0.85 CACNA1C (0.38) MEN1KMT2APOLBCACNA1CNPC1
SCHEMBL14770532 0.85 AMY1A (0.38) AMY1AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL14770537 0.85 CACNA1C (0.38) MEN1KMT2ALMNAALDH1A1CACNA1C
SCHEMBL14770526 0.84 CACNA1C (0.48) MEN1KMT2AUSP2POLBLMNA
SCHEMBL14770538 0.84 CACNA1C (0.40) AMY1AMEN1KMT2ALMNAALDH1A1
SCHEMBL14770528 0.83 NPC1 (0.42) MEN1KMT2APOLBLMNACYP3A4

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 AMY1A 4661/4885MEN1 2676/4885KMT2A 4545/4885

“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.