SCHEMBL9939491

SCHEMBL9939491

CC1(N/C(=N\C(=O)c2ccc(C(F)(F)F)cc2)Nc2cccc(O)n2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.35
GRM5 P41594 2/20 0.34
BACE1 P56817 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ROCK2 O75116 1/20 0.34
SORT1 Q99523 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
CASP3 P42574 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL9939785 0.98 DEGS1 (0.35) DEGS1GRM5BACE1MAPTKMT2A
SCHEMBL9939781 0.96 DEGS1 (0.37) DEGS1GRM5BACE1MAPTKMT2A
SCHEMBL9938518 0.87 RXFP1 (0.42) DEGS1GRM5KMT2ANPC1LMNA
SCHEMBL9939788 0.85 RXFP1 (0.42) DEGS1GRM5KMT2ANPC1LMNA
SCHEMBL9939784 0.81 MEN1 (0.38) DEGS1GRM5MAPTKMT2AMEN1
SCHEMBL9939747 0.80 EPHX2 (0.41) KMT2AMEN1LMNA
SCHEMBL9939504 0.80 GRM5 (0.38) DEGS1GRM5MAPTKMT2AMEN1
SCHEMBL9939496 0.80 HDAC4 (0.39) DEGS1MAPTKMT2AMEN1NPC1
SCHEMBL15479561 0.79 EPHX2 (0.43) MAPTKMT2AMEN1LMNA
SCHEMBL9939758 0.79 MEN1 (0.37) DEGS1MAPTKMT2AMEN1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B DEGS1 4382/4885GRM5 961/4885BACE1 4327/4885

“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.