SCHEMBL4480285

SCHEMBL4480285

[CH2]CN1CCC(C(N)=O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
ACE P12821 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 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
SCHEMBL20525267 0.83 ACE (0.35) TSHRCYP3A4TDP1MAPTAPEX1
SCHEMBL2687742 0.81 TSHR (0.46) TSHRAPEX1ACE
SCHEMBL2686288 0.80 PARP1 (0.34) TSHRACESMN1; SMN2
SCHEMBL7219154 0.77 MAOB (0.35) TSHRACESMN1; SMN2
SCHEMBL13858027 0.77 DPP4 (0.34) TDP1ACE
SCHEMBL2687127 0.75 PARP1 (0.39) SMN1; SMN2
SCHEMBL2687447 0.74 AOC3 (0.34)
SCHEMBL7829097 0.74 HDAC1 (0.49)
SCHEMBL6206674 0.73 GAA (0.53)
SCHEMBL4703198 0.72 TDP1 (0.54) TSHRCYP3A4TDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 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-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK TSHR 3509/4885CYP3A4 4026/4885TDP1 978/4885

“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.