SCHEMBL16675914

SCHEMBL16675914

COCC(C)N/C(=N/C(=O)Cc1cccc(Cl)c1)Nc1cc(C)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 1/20 0.45
CDK2 P24941 3/20 0.40
CCNE1 P24864 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
P2RX7 Q99572 1/20 0.39
LMNA P02545 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PLK4 O00444 1/20 0.37
PAK4 O96013 1/20 0.37
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
MAPK1 P28482 3/20 0.36
ATM Q13315 1/20 0.36
NPY5R Q15761 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16675916 0.91 CDK2 (0.48) NPC1RAB9ACDK2CCNE1CDK7
SCHEMBL16682126 0.88 HPGD (0.42) NPC1RAB9AHPGDCDK2CCNE1
SCHEMBL16675903 0.81 MAPK1 (0.39) NPC1RAB9AHPGDCDK2CCNE1
SCHEMBL16675893 0.80 MAPK1 (0.38) NPC1RAB9ACDK2CCNE1CTSS
SCHEMBL16675908 0.79 MAPK1 (0.39) NPC1RAB9ACDK2CCNE1LMNA
SCHEMBL16675936 0.79 MAPK1 (0.41) HPGDMAPK1
SCHEMBL16682111 0.78 CDK2 (0.46) CDK2CCNE1CCNA2CCNA1MAPK1
SCHEMBL16675895 0.76 CDK2 (0.38) CDK2CCNE1CTSKCCNA2CCNA1
SCHEMBL16675901 0.74 MAPK1 (0.39) CDK2CCNE1MAPK1
SCHEMBL16675905 0.74 MAPK1 (0.45) MAPK1

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 NPC1 627/4885RAB9A 720/4885HPGD 888/4885

“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.