SCHEMBL16682126

SCHEMBL16682126

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CYP2D6 P10635 2/20 0.38
ACKR3 P25106 1/20 0.37
FFAR2 O15552 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR2E1 Q9Y466 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
NPY5R Q15761 1/20 0.34
CSNK1D P48730 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
SCHEMBL16682111 0.91 CDK2 (0.46) CCNE1CDK2ACKR3MAPK1NPY5R
SCHEMBL16675914 0.88 NPC1 (0.47) HPGDCCNE1CDK2LMNAMAPK1
SCHEMBL16682080 0.83 CCNE1 (0.37) HPGDCCNE1CDK2LMNAKDM4E
SCHEMBL18556907 0.82 CCNE1 (0.37) HPGDCCNE1CDK2LMNAKDM4E
SCHEMBL16682110 0.81 MAPK1 (0.36) HPGDCCNE1CDK2LMNAKDM4E
SCHEMBL18558522 0.79 SMN1; SMN2 (0.41) HPGDCDK2LMNAKDM4EALDH1A1
SCHEMBL16675916 0.78 CDK2 (0.48) CCNE1CDK2MAPK1NPC1RAB9A
SCHEMBL18558426 0.78 MAPK1 (0.37) MAPK1
SCHEMBL18558119 0.78 MAPK1 (0.38) CCNE1CDK2MAPK1RAB9A
SCHEMBL16675936 0.78 MAPK1 (0.41) HPGDMAPK1

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 HPGD 888/4885CCNE1 3962/4885CDK2 3048/4885

“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.