SCHEMBL4910837

SCHEMBL4910837

CCCc1c(Cl)ncc(C=O)c1NC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
HSP90AB1 P08238 1/20 0.34
PDE11A Q9HCR9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDR P35968 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
SCHEMBL4908061 0.86 HTT (0.34) HTTHSP90AB1L3MBTL1USP2
SCHEMBL4902037 0.75 PDE11A (0.40) HSP90AB1PDE11AL3MBTL1MEN1KMT2A
SCHEMBL8261659 0.72 NOS2 (0.33)
SCHEMBL9649 0.66 KDM4E (0.38) HTTL3MBTL1MEN1KMT2ATDP1
SCHEMBL5677055 0.66 KDR (0.38) HTTL3MBTL1MEN1KMT2AKDR
SCHEMBL15719096 0.66 HTT (0.40) HTTHSP90AB1PDE11AL3MBTL1USP2
SCHEMBL12513036 0.65 PDK1 (0.51) HTTL3MBTL1MEN1KMT2A
SCHEMBL9835326 0.64 LMNA (0.54) HTTMEN1KMT2ATDP1
SCHEMBL22207588 0.64 HTT (0.38) HTTL3MBTL1MEN1KMT2ATDP1
SCHEMBL15427846 0.63 HTT (0.62) HTTL3MBTL1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives NEUROGEN CORPORATION 2008-06-05 US disclosed
US-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives NEUROGEN CORPORATION 2008-06-05 US disclosed
US-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives NEUROGEN CORPORATION 2008-06-05 US disclosed
EP-1838152-A2 IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2007-10-03 EP disclosed
WO-2006078891-A2 IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2006-07-27 WO disclosed
WO-2006078891-A2 IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2006-07-27 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-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives GABRR3, GABRA3, GABRR1 HTT 3260/4885HSP90AB1 4009/4885PDE11A 3083/4885

“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.