SCHEMBL16675913

SCHEMBL16675913

Cc1cc(N/C(=N\C(=O)C2CCCCC2)Nc2cc(F)cc(Cl)c2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKA O14965 2/20 0.35
RIPK1 Q13546 2/20 0.35
AURKB Q96GD4 2/20 0.35
SLC6A9 P48067 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 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
SCHEMBL16675918 0.99 GRM4 (0.43) GRM4MEN1KMT2ANPC1RAB9A
SCHEMBL16682166 0.87 CYP2D6 (0.47) GRM4MEN1KMT2AALDH1A1CYP2D6
SCHEMBL16675904 0.86 GRM4 (0.40) GRM4MEN1KMT2ANPC1RAB9A
SCHEMBL16682127 0.86 CYP2D6 (0.48) GRM4MEN1KMT2AALDH1A1CYP2D6
SCHEMBL16865707 0.79 NPC1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL16675897 0.79 PLK4 (0.40) GRM4NPC1RAB9ACYP2D6CDK2
SCHEMBL16675906 0.79 NPC1 (0.36) GRM4MEN1KMT2ANPC1RAB9A
SCHEMBL16675898 0.78 NPC1 (0.39) GRM4MEN1KMT2ANPC1RAB9A
SCHEMBL16675894 0.78 RAB9A (0.39) GRM4MEN1KMT2ANPC1RAB9A
SCHEMBL16865705 0.78 CCNA2 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1

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-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C GRM4 1007/4885MEN1 3593/4885KMT2A 1780/4885

“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.