SCHEMBL8725

SCHEMBL8725

O=C(CO)NN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.35
LIPE Q05469 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL9551386 0.79 CA12 (0.47) HTTL3MBTL1LIPECA12CA2
SCHEMBL7338568 0.78 HTT (0.38) HTTL3MBTL1ALDH1A1LIPEGNAI3
SCHEMBL3875596 0.78 HTT (0.44) HTTL3MBTL1ALDH1A1GNAI3GNAO1
SCHEMBL3875288 0.76 HTT (0.41) HTTL3MBTL1ALDH1A1LIPEGNAI3
SCHEMBL1507938 0.76 ALDH1A1 (0.43) HTTL3MBTL1ALDH1A1LIPEMAPT
SCHEMBL15054837 0.76 HTT (0.41) HTTL3MBTL1ALDH1A1LIPEMAPT
Hydrochloric Acid SCHEMBL9469017 0.76 HTT (0.37) HTTL3MBTL1ALDH1A1LIPEGNAI3
SCHEMBL4591725 0.76 HTT (0.47) HTTL3MBTL1ALDH1A1GNAI3GNAO1
SCHEMBL915516 0.76 L3MBTL1 (0.40) HTTL3MBTL1ALDH1A1LIPEGNAI3
SCHEMBL1428597 0.76 HTT (0.41) HTTL3MBTL1ALDH1A1LIPEMAPT

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
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 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 (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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA HTT 3811/4885L3MBTL1 4171/4885ALDH1A1 1059/4885

“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.