SCHEMBL4286828

SCHEMBL4286828

OCCOc1[c]nccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
IDO1 P14902 1/20 0.33
PDE5A O76074 1/20 0.33
GAA P10253 1/20 0.33
NR1I2 O75469 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL2068707 0.85
SCHEMBL19171884 0.84
SCHEMBL1494518 0.81 NPC1 (0.38) ALDH1A1PDE5AL3MBTL1HSD17B10
SCHEMBL1494205 0.79 CYP2D6 (0.42) L3MBTL1
SCHEMBL2066473 0.79 TSHR (0.38)
SCHEMBL1494545 0.78 LTA4H (0.40) PDE5AL3MBTL1
SCHEMBL933355 0.78 CHRNB2 (0.51) ALDH1A1
SCHEMBL1494604 0.77 LMNA (0.40) ALDH1A1PDE5ANR1I2
SCHEMBL1494281 0.77 LMNA (0.40) ALDH1A1PDE5ANR1I2
SCHEMBL1494447 0.77 LMNA (0.40) ALDH1A1PDE5ANR1I2

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
EP-2604595-B1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY SHIONOGI & CO (JP) 2016-03-16 EP disclosed
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2013-07-04 US disclosed
EP-2604595-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY Shionogi&Co., Ltd. (JP) 2013-06-19 EP disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US 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 (3 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 ALDH1A1 4359/4885RECQL 1435/4885IDO1 4569/4885
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME P2RX3, P2RX4, P2RX2 ALDH1A1 2167/4885RECQL 535/4885IDO1 2905/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885RECQL 1485/4885IDO1 4592/4885

“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.