SCHEMBL9939780

SCHEMBL9939780

O=C(/N=C(/NCC1CCCCC1)Nc1cccc(O)n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.43
MLYCD O95822 1/20 0.43
MGLL Q99685 1/20 0.39
HDAC4 P56524 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MTTP P55157 1/20 0.36
CSNK1D P48730 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MCHR1 Q99705 1/20 0.36
MDM2 Q00987 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL9939664 0.95 HDAC4 (0.41) HDAC6MLYCDHDAC4MEN1KMT2A
SCHEMBL15479561 0.85 EPHX2 (0.43) HDAC6HDAC4MEN1KMT2AALDH1A1
SCHEMBL9939747 0.84 EPHX2 (0.41) HDAC6HDAC4MEN1KMT2AALDH1A1
SCHEMBL9939508 0.83 MEN1 (0.37) MEN1KMT2A
SCHEMBL9939672 0.82 TRPV1 (0.43) MLYCD
SCHEMBL9939496 0.82 HDAC4 (0.39) HDAC6HDAC4MEN1KMT2AMCHR1
SCHEMBL16621971 0.81 MDM2 (0.39) ROCK2MDM2
SCHEMBL9939782 0.80 TAS1R3 (0.48) MLYCDMDM2
SCHEMBL9939784 0.80 MEN1 (0.38) MEN1KMT2AMCHR1
SCHEMBL9939758 0.80 MEN1 (0.37) MEN1KMT2AMCHR1

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 9 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
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2014-02-20 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 (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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B HDAC6 2112/4885MLYCD 1851/4885MGLL 2791/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B HDAC6 2112/4885MLYCD 1851/4885MGLL 2791/4885

“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.