SCHEMBL19002596

SCHEMBL19002596

CCCc1ncc(O)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 14/20 0.61
▸ KDM4C Q9H3R0 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ COMT P21964 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL19049572 0.85 DAO (0.56) DAOCOMT
SCHEMBL5796354 0.78 KDM4C (0.43) DAOKDM4CGLA
SCHEMBL18997760 0.76 DAO (0.51) DAOCOMT
SCHEMBL19002599 0.75 KDM4E (0.49) DAOKDM4CGLAKDM4E
SCHEMBL28286935 0.71 MPO (0.44) KDM4CGLA
SCHEMBL9425091 0.71 BRS3 (0.38) GLAKDM4EPKM
SCHEMBL7424613 0.70 MMP2 (0.48) GLAKDM4EPKM
SCHEMBL24445917 0.70 — —
SCHEMBL7484552 0.70 GLA (0.39) KDM4CGLA
SCHEMBL3176990 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 DAO 3864/4885KDM4C 3881/4885GLA 1765/4885

“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.

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