SCHEMBL16675886

SCHEMBL16675886

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALOX15 P16050 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
RAF1 P04049 6/20 0.44
BRAF P15056 3/20 0.44
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
TP53 P04637 2/20 0.42
HCAR2 Q8TDS4 2/20 0.42
ALK Q9UM73 1/20 0.42
HCAR3 P49019 1/20 0.41
GSK3B P49841 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL16675883 0.88 RAF1 (0.45) MAPTALOX15SMN1; SMN2NPSR1HSP90AA1
SCHEMBL16675885 0.83 MAPT (0.43) MAPTALOX15SMN1; SMN2NPSR1HSP90AA1
SCHEMBL14985532 0.80 MAPT (0.46) MAPTRAF1BRAFFGFR1TP53
SCHEMBL16682103 0.80 NPC1 (0.57) MAPTALOX15SMN1; SMN2NPSR1HSP90AA1
SCHEMBL16675884 0.79 SMN1; SMN2 (0.48) MAPTALOX15SMN1; SMN2NPSR1HPGD
SCHEMBL2609449 0.79 CRHBP (0.51) MAPTALOX15RAF1BRAFTP53
SCHEMBL11888038 0.79 CA12 (0.51) MAPTRAF1BRAFTP53HCAR2
SCHEMBL14985521 0.77 TP53 (0.49) MAPTALOX15SMN1; SMN2NPSR1HPGD
SCHEMBL11886212 0.76 SMN1; SMN2 (0.61) MAPTSMN1; SMN2NPSR1HPGDRAF1
SCHEMBL16745897 0.75 RAF1 (0.53) MAPTRAF1BRAFTP53HCAR2

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 MAPT 3486/4885ALOX15 4305/4885SMN1; SMN2 3278/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C MAPT 2894/4885ALOX15 2000/4885SMN1; SMN2 2421/4885

“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.