SCHEMBL5199864

SCHEMBL5199864

[NH]C(=O)NN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
CA2 P00918 2/20 0.50
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2D6 P10635 1/20 0.46
EPHX2 P34913 1/20 0.44
LIPE Q05469 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.38

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
SCHEMBL698258 0.78 CA12 (0.52) CA12CA1CA9CA2HTT
SCHEMBL698257 0.78 CA12 (0.52) CA12CA1CA9CA2HTT
SCHEMBL5212044 0.77
SCHEMBL2520895 0.76 CA12 (0.50) CA12CA1CA9CA2HTT
Hydrochloric Acid SCHEMBL5112582 0.76 CA12 (0.50) CA12CA1CA9CA2HTT
SCHEMBL3870049 0.76 CA12 (0.50) CA12CA1CA9CA2HTT
SCHEMBL3422335 0.76 CA12 (0.50) CA12CA1CA9CA2HTT
SCHEMBL365772 0.76 EPHX2 (0.53) CA12CA1CA9CA2HTT
SCHEMBL3077421 0.76 CA12 (0.50) CA12CA1CA9CA2HTT
SCHEMBL8648664 0.74 CA12 (0.48) CA12CA1CA9CA2HTT

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
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US claimed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP claimed
WO-2002044174-A2 3-(2,4-DIMETHYLTHIAZOL-5-YL) INDENO[1,2-C]PYRAZOL-4-ONE DERIVATIVES AS CDK INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-06 WO claimed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP disclosed
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
WO-2002044174-A2 3-(2,4-DIMETHYLTHIAZOL-5-YL) INDENO[1,2-C]PYRAZOL-4-ONE DERIVATIVES AS CDK INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-06 WO disclosed
US-5789406-A Indeno 1,2-E!pyrazine-4-ones, their preparation and the medicaments containing them RHONE-POULENC RORER S.A. (FR) 1998-08-04 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 (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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 CA12 1900/4885CA1 1466/4885CA9 1446/4885

“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.