SCHEMBL9939681

SCHEMBL9939681

O=C(/N=C(/NCc1ccccc1Cl)Nc1cccc(O)n1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CNR1 P21554 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 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
SCHEMBL9939489 0.89 SMN1; SMN2 (0.39) SCN2ASCN10AKMT2ASMN1; SMN2CNR1
SCHEMBL9939502 0.87 LMNA (0.41) RXFP1MAPTLMNA
SCHEMBL15479566 0.87 EPHX2 (0.43) KMT2ARXFP1CNR1
SCHEMBL9938508 0.87 RXFP1 (0.46) KMT2ASMN1; SMN2MEN1RXFP1RAB9A
SCHEMBL9939678 0.85 ROCK2 (0.41) RXFP1CNR1
SCHEMBL9939674 0.84 RXFP1 (0.43) RXFP1CNR1NPC1MAOB
SCHEMBL9939578 0.82 CNR2 (0.41) SMN1; SMN2RXFP1CNR2MAOB
SCHEMBL9939568 0.81 PPARG (0.40) RXFP1MAPTCNR2MAOB
SCHEMBL9939637 0.81 RXFP1 (0.44) KMT2ASMN1; SMN2RXFP1CNR1NPC1
SCHEMBL9939640 0.81 RXFP1 (0.40) KMT2AMEN1RXFP1CNR1

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 8 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
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-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
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 SCN2A 3624/4885SCN10A 984/4885KMT2A 3290/4885

“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.