SCHEMBL9939392

SCHEMBL9939392

O=C(/N=C(/Nc1cccc(Cl)c1)Nc1cccc(O)n1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
GRM5 P41594 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
P2RX1 P51575 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
XBP1 P17861 1/20 0.41
STAT3 P40763 1/20 0.41
GSK3A P49840 1/20 0.41

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 0.92 GRM5 (0.47) GRM5ALDH1A1MEN1KMT2AMAPT
SCHEMBL9939472 0.89 KDR (0.41) GRM5ALDH1A1MEN1KMT2AMAPT
SCHEMBL9939676 0.87 RXFP1 (0.48) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15479558 0.84 MAPT (0.46) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9939674 0.84 RXFP1 (0.43) RXFP1GRM5NPC1CNR1
SCHEMBL9939658 0.82 KMT2A (0.50) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9939562 0.82 CYP2D6 (0.47) GRM5ALDH1A1MEN1KMT2AP2RX1
SCHEMBL9939793 0.81 RXFP1 (0.47) RXFP1GRM5ALDH1A1KMT2AMAPT
SCHEMBL9938598 0.80 RXFP1 (0.44) RXFP1GRM5KMT2AMAPTLMNA
SCHEMBL9938508 0.80 RXFP1 (0.46) RXFP1ALDH1A1MEN1KMT2ASMN1; 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 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 RXFP1 3462/4885GRM5 961/4885ALDH1A1 1852/4885

“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.