SCHEMBL9939488

SCHEMBL9939488

O=C(/N=C(\Nc1cccc(O)n1)NC1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
EPHX1 P07099 3/20 0.42
CNR1 P21554 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
EPHX2 P34913 3/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL9939560 0.91 CNR2 (0.41) RXFP1CNR1CNR2
SCHEMBL9939667 0.89 CNR2 (0.45) RXFP1EPHX1CNR1MAPK1CNR2
SCHEMBL9939786 0.88 RXFP1 (0.39) RXFP1EPHX1CNR1NPC1RAB9A
SCHEMBL9939795 0.86 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9939747 0.86 EPHX2 (0.41) SMN1; SMN2ALDH1A1LMNAHTTEPHX2
SCHEMBL15479561 0.85 EPHX2 (0.43) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL9939798 0.84 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL16621975 0.84 ACKR3 (0.42) RXFP1CNR1SMN1; SMN2TSHR
SCHEMBL9939496 0.82 HDAC4 (0.39) NPC1RAB9ALMNAMAPTEPHX2
SCHEMBL9939757 0.82 KCNQ3 (0.40) NPC1RAB9ASMN1; SMN2

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 RXFP1 3462/4885EPHX1 1183/4885CNR1 3920/4885

“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.