SCHEMBL3013229

SCHEMBL3013229

CCC(=O)c1cccc(C2CCCN2)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN4A P35499 1/20 0.36
CHRM2 P08172 5/20 0.36
CHRM5 P08912 5/20 0.36
CHRM3 P20309 5/20 0.36
CHRM4 P08173 4/20 0.36
CHRM1 P11229 4/20 0.36
PARP2 Q9UGN5 2/20 0.36
PARP3 Q9Y6F1 1/20 0.35
DRD2 P14416 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL4150950 0.81 HSP90AA1 (0.44) PARP1MEN1KMT2ADRD2PDCD1LG2
SCHEMBL2955892 0.80 PARP1 (0.54) PARP1PARP2PARP3
SCHEMBL5156518 0.78 PARP1 (0.40) PARP1MEN1KMT2ASCN4ACHRM2
SCHEMBL27570265 0.76 MEN1 (0.44) PARP1MEN1KMT2ACHRM2CHRM5
SCHEMBL27463457 0.76 HSP90AB1 (0.49) MEN1KMT2ACHRM2CHRM5CHRM3
SCHEMBL22721015 0.75 HTR2C (0.54) MEN1KMT2ASCN4ACHRM2CHRM5
SCHEMBL31648194 0.75 HTR2C (0.54) MEN1KMT2ASCN4ACHRM2CHRM5
SCHEMBL24073689 0.74 PARP1 (0.42) PARP1MEN1KMT2ACHRM2CHRM5
Hydrochloric Acid SCHEMBL31648881 0.73 HTR2C (0.56) MEN1KMT2ASCN4ACHRM2CHRM5
SCHEMBL13751425 0.73 MEN1 (0.41) MEN1KMT2APDCD1LG2CD274

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-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US claimed
EP-2170820-A2 IMPROVED PROCESS OF AMIDE FORMATION Glaxo Group Limited (GB) 2010-04-07 EP claimed
WO-2008155334-A2 IMPROVED PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2008-12-24 WO claimed
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US disclosed
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US disclosed
EP-2170820-A2 IMPROVED PROCESS OF AMIDE FORMATION Glaxo Group Limited (GB) 2010-04-07 EP disclosed
EP-2170820-A2 IMPROVED PROCESS OF AMIDE FORMATION Glaxo Group Limited (GB) 2010-04-07 EP disclosed
WO-2008155334-A3 IMPROVED PROCESS OF AMIDE FORMATION GLAXO GROUP LTD (GB) 2009-02-12 WO disclosed
WO-2008155334-A2 IMPROVED PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2008-12-24 WO disclosed
WO-2008155334-A2 IMPROVED PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2008-12-24 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-20100184996-A1 PROCESS OF AMIDE FORMATION ADH1C, ADH5, ADH1A PARP1 498/4885MEN1 3549/4885KMT2A 266/4885

“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.