SCHEMBL16682102

SCHEMBL16682102

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 5/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL16627207 0.84 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18556882 0.84 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2056467 0.83 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2360413 0.82 HTT (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16675884 0.81 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16064396 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4384447 0.79 ALPL (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12096338 0.78 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16682103 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8415608 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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