SCHEMBL9939472

SCHEMBL9939472

O=C(/N=C(/Nc1cccc(Cl)c1)Nc1cccc(O)n1)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
AURKA O14965 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
XBP1 P17861 1/20 0.39
STAT3 P40763 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL16622203 0.90 GRM5 (0.47) KDRTEKMEN1KMT2ARAB9A
SCHEMBL9939525 0.90 CYP2D6 (0.38) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL9939392 0.89 RXFP1 (0.46) KDRTEKMEN1KMT2ARAB9A
SCHEMBL9938991 0.87 MAPT (0.45) KDRMEN1KMT2ARAB9AALDH1A1
SCHEMBL15479558 0.85 MAPT (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9939182 0.85 MAOB (0.40) NPC1
SCHEMBL9939562 0.84 CYP2D6 (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL9939551 0.84 CYP2D6 (0.37) KDRMEN1KMT2ARAB9AAURKA
SCHEMBL9939658 0.83 KMT2A (0.50) KDRMEN1KMT2AALDH1A1MAPT
SCHEMBL9939559 0.82 ALDH1A1 (0.44) KDRMEN1KMT2AALDH1A1MAPT

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 KDR 4558/4885TEK 4217/4885MEN1 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.