SCHEMBL16675884

SCHEMBL16675884

COc1ccc(-c2cc(C(C)C)[nH]n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 6/20 0.47
POLB P06746 3/20 0.47
TP53 P04637 3/20 0.46
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL14985521 0.89 TP53 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14985511 0.84 MAPT (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL16682102 0.81 NPC1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL16675885 0.81 MAPT (0.43) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL16675886 0.79 MAPT (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2056467 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL14985532 0.78 MAPT (0.46) MAPTPOLBTP53
SCHEMBL11886211 0.77 MAPT (0.67) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL18556882 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL2609449 0.77 CRHBP (0.51) NPC1RAB9AMEN1KMT2AMAPT

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 SMN1; SMN2 3278/4885NPC1 1827/4885RAB9A 448/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C SMN1; SMN2 2421/4885NPC1 627/4885RAB9A 720/4885

“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.