SCHEMBL19764151

SCHEMBL19764151

Cc1ccc(N/N=C/c2cccc(-c3ccc(/C=N/Nc4ccc(F)cc4F)cc3)c2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
RAB9A P51151 10/20 0.53
NPC1 O15118 10/20 0.53
GAA P10253 9/20 0.53
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 8/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PKM P14618 1/20 0.46
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL20625512 0.93 KCNH2 (0.62) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL21626743 0.83 KCNH2 (0.73) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL21626682 0.83 KCNH2 (0.50) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL19764155 0.81 MPO (0.52) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL19764152 0.80 RAB9A (0.47) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL1164776 0.78 RAB9A (0.72) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL1164775 0.78 RAB9A (0.72) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL29663046 0.78 RAB9A (0.77) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL22873999 0.78 RAB9A (0.77) KCNH2RAB9ANPC1GAAMAPT
SCHEMBL20625511 0.76 KCNH2 (0.58) KCNH2RAB9ANPC1GAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009741-A1 BISHYDRAZONE-BASED ANTIFUNGAL AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-01-11 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-20180009741-A1 BISHYDRAZONE-BASED ANTIFUNGAL AGENTS DPM1, ERG28, SUCLG1 KCNH2 2425/4885RAB9A 3483/4885NPC1 928/4885

“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.