SCHEMBL12065628

SCHEMBL12065628

OC(c1ccc(OC(F)F)cc1)c1nc2cc(OC(F)F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 2/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ PDE2A O00408 7/20 0.39
▸ PDE10A Q9Y233 2/20 0.39
▸ ENPP1 P22413 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35

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
SCHEMBL14770699 0.92 MLKL (0.46) MLKLNPC1RAB9ALMNASMN1; SMN2
SCHEMBL14770666 0.92 MLKL (0.59) MLKLNPC1RAB9ALMNASMN1; SMN2
SCHEMBL12065629 0.90 MLKL (0.41) MLKLNPC1RAB9ALMNASMN1; SMN2
SCHEMBL12066600 0.90 SCN10A (0.45) MLKLNPC1RAB9ALMNASMN1; SMN2
SCHEMBL12065623 0.87 PRCP (0.43) MLKLNPC1RAB9ALMNASMN1; SMN2
SCHEMBL12066573 0.83 SCN10A (0.46) MLKLKMT2APDE2APDE10AKDM4E
SCHEMBL14770690 0.81 MLKL (0.52) MLKLNPC1RAB9ALMNASMN1; SMN2
SCHEMBL14770707 0.79 SCN10A (0.48) MLKLMEN1KMT2APDE2AALDH1A1
SCHEMBL14770646 0.78 SCN10A (0.40) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL14770660 0.78 MLKL (0.42) MLKLNPC1RAB9ALMNASMN1; SMN2

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 11 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 claimed
EP-2578573-A1 FUSED IMIDAZOLE DERIVATIVE TOA Eiyo Ltd. (JP) 2013-04-10 — — EP claimed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 — — US claimed
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 — — US disclosed
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 — — US disclosed
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 — — US disclosed
EP-2578573-A1 FUSED IMIDAZOLE DERIVATIVE TOA Eiyo Ltd. (JP) 2013-04-10 — — EP disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 — — US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 — — US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 — — US disclosed
WO-2011148956-A1 FUSED IMIDAZOLE DERIVATIVE トーアエイヨー株式会社 (JP) 2011-12-01 — — WO 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 MLKL 2378/4885NPC1 2440/4885RAB9A 298/4885

“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.

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