SCHEMBL9939637

SCHEMBL9939637

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
GABRA5 P31644 2/20 0.36
ACKR3 P25106 1/20 0.35
GRM5 P41594 2/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CNR1 P21554 1/20 0.34
HTR1F P30939 1/20 0.34
GBA1 P04062 1/20 0.34
IDH2 P48735 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
FFAR2 O15552 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
SCHEMBL9939508 0.89 MEN1 (0.37) MAPTGRM5RAB9ANPC1KMT2A
SCHEMBL9938508 0.84 RXFP1 (0.46) RXFP1SMN1; SMN2RAB9AKMT2A
SCHEMBL9939544 0.84 RXFP1 (0.42) RXFP1MAPTCNR1PPARGKMT2A
SCHEMBL16621981 0.84 RXFP1 (0.42) RXFP1SMN1; SMN2MAPTGABRA5ACKR3
SCHEMBL15479566 0.83 EPHX2 (0.43) RXFP1CNR1GAAPPARGKMT2A
SCHEMBL9939674 0.82 RXFP1 (0.43) RXFP1GABRA5GRM5NPC1CNR1
SCHEMBL9938514 0.82 RXFP1 (0.43) RXFP1SMN1; SMN2GRM5RAB9ANPC1
SCHEMBL9939681 0.81 SCN2A (0.43) RXFP1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL9939464 0.81 PPARG (0.43) RXFP1PPARG
SCHEMBL9939640 0.81 RXFP1 (0.40) RXFP1GRM5CNR1PPARGKMT2A

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 RXFP1 3462/4885SMN1; SMN2 3079/4885MAPT 2707/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B RXFP1 3462/4885SMN1; SMN2 3079/4885MAPT 2707/4885

“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.