SCHEMBL4694344

SCHEMBL4694344

COC(=O)c1cccc(C(=O)N2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
GAA P10253 1/20 0.60
RBP4 P02753 1/20 0.57
RHOA P61586 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
EPHX2 P34913 1/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.52

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
SCHEMBL10666502 0.98 HPGD (0.65) HPGDKMT2AMEN1HTTGAA
SCHEMBL14258634 0.88 HPGD (0.59) HPGDKMT2AMEN1GAARBP4
SCHEMBL4206984 0.86 L3MBTL1 (0.70) HPGDKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL10720984 0.86 HPGD (0.76) HPGDKMT2AMEN1HTTGAA
SCHEMBL1364655 0.85 RBP4 (0.62) KMT2AMEN1RBP4RHOAL3MBTL3
SCHEMBL27583244 0.84 ALDH1A1 (0.47) KMT2AMEN1GAARHOAALDH1A1
SCHEMBL7127339 0.84 HPGD (0.77) HPGDKMT2AMEN1HTTGAA
SCHEMBL206262 0.84 RBP4 (0.52) KMT2AMEN1HTTGAARBP4
SCHEMBL28103785 0.83 HPGD (0.61) HPGDKMT2AMEN1HTTGAA
SCHEMBL70433 0.83 HPGD (0.69) HPGDKMT2AMEN1L3MBTL1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 WO disclosed
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
EP-1906964-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 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-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 HPGD 617/4885KMT2A 546/4885MEN1 2194/4885
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A HPGD 50/4885KMT2A 2770/4885MEN1 1673/4885

“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.