SCHEMBL9939658

SCHEMBL9939658

O=C(/N=C(/Nc1cccc(C(F)(F)F)c1)Nc1cccc(O)n1)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
TP53 P04637 1/20 0.47
SLC2A1 P11166 1/20 0.46
P2RX1 P51575 1/20 0.46
P2RX4 Q99571 1/20 0.46
P2RX7 Q99572 1/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NTRK1 P04629 1/20 0.45
CDK19 Q9BWU1 1/20 0.45

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
SCHEMBL15479558 0.96 MAPT (0.46) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9939530 0.93 MAPT (0.49) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9939676 0.91 RXFP1 (0.48) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL16622203 0.90 GRM5 (0.47) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9938991 0.88 MAPT (0.45) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9939556 0.88 MAPT (0.48) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9939559 0.88 ALDH1A1 (0.44) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9939765 0.86 CYP2D6 (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9939472 0.83 KDR (0.41) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9939392 0.82 RXFP1 (0.46) KMT2AMAPTMEN1ALDH1A1LMNA

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 KMT2A 3290/4885MAPT 2707/4885MEN1 3119/4885

“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.