SCHEMBL16675883

SCHEMBL16675883

CC(C)c1cc(-c2ccc(F)c(O)c2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.45
MAPT P10636 7/20 0.45
TP53 P04637 4/20 0.45
BRAF P15056 3/20 0.44
HCAR2 Q8TDS4 2/20 0.42
HCAR3 P49019 1/20 0.41
ALOX15 P16050 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
APP P05067 1/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL16675886 0.88 MAPT (0.44) RAF1MAPTTP53BRAFHCAR2
SCHEMBL14985532 0.83 MAPT (0.46) RAF1MAPTTP53BRAFHCAR2
SCHEMBL16675885 0.80 MAPT (0.43) RAF1MAPTTP53BRAFHCAR2
SCHEMBL16682104 0.80 NPC1 (0.53) MAPTALOX15SMN1; SMN2NPSR1HSP90AA1
SCHEMBL14985521 0.79 TP53 (0.49) RAF1MAPTTP53HCAR2ALOX15
SCHEMBL2609449 0.79 CRHBP (0.51) RAF1MAPTTP53BRAFHCAR2
SCHEMBL11888038 0.79 CA12 (0.51) RAF1MAPTTP53BRAFHCAR2
SCHEMBL16675884 0.77 SMN1; SMN2 (0.48) MAPTTP53ALOX15SMN1; SMN2NPSR1
SCHEMBL2609423 0.76 MAPT (0.65) RAF1MAPTTP53BRAFHCAR2
SCHEMBL16745897 0.75 RAF1 (0.53) RAF1MAPTTP53BRAFHCAR2

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 4 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-9221814-B2 Heterocyclic guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-12-29 US disclosed
US-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-28 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 (2 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-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D RAF1 656/4885MAPT 3486/4885TP53 610/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C RAF1 1976/4885MAPT 2894/4885TP53 1551/4885

“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.