SCHEMBL4834098

SCHEMBL4834098

CN1C(=O)SC(Cc2ccc(N)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.55
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.43
AURKA O14965 1/20 0.41
CAPN1 P07384 1/20 0.39
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4834844 0.81 PPARG (0.67) PPARGMAPTKDM4EAURKACYP19A1
SCHEMBL22099884 0.74 CAPN1 (0.68) PPARGMAPTCAPN1CYP19A1ALDH1A1
SCHEMBL22091734 0.74 CAPN1 (0.68) PPARGMAPTCAPN1CYP19A1ALDH1A1
SCHEMBL10281575 0.70 HPGD (0.69) PPARGMAPTALDH1A1TDP1MCL1
SCHEMBL5208299 0.70 MAPT (1.00) PPARGMAPTALDH1A1NPSR1TDP1
SCHEMBL15828870 0.70 MAPT (0.52) PPARGMAPTKDM4EALDH1A1MCL1
SCHEMBL4859932 0.66 ALDH1A1 (0.49) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL12291322 0.65 PPARG (0.60) PPARGMAPTKDM4ECAPN1MCL1
SCHEMBL7469293 0.64 MAPT (0.56) PPARGMAPTKDM4EMCL1LMNA
SCHEMBL31376969 0.62 PPARG (0.50) PPARGMAPTKDM4EALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PPARG 1111/4885MAPT 3203/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PPARG 1111/4885MAPT 3203/4885KDM4E 4406/4885

“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.