SCHEMBL19002599

SCHEMBL19002599

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ RECQL P46063 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40

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
SCHEMBL23222270 0.86 KDM4E (0.51) KDM4EALDH1A1POLBRECQLMAPK1
SCHEMBL20665627 0.81 RECQL (0.49) KDM4EALDH1A1POLBRECQLMAPK1
SCHEMBL10332862 0.81 RECQL (0.49) KDM4EALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL18997781 0.78 RECQL (0.46) KDM4EALDH1A1POLBRECQLMAPK1
SCHEMBL20665603 0.78 RECQL (0.46) KDM4EALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL24827537 0.77 ALDH1A1 (0.45) KDM4EALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL5796354 0.75 KDM4C (0.43) POLBMAPK1LMNAHTTKDM4C
SCHEMBL19002596 0.75 DAO (0.61) KDM4EKDM4CGLADAO
SCHEMBL21900747 0.72 KDM4E (0.39) KDM4EALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL26669557 0.72 RECQL (0.54) KDM4EALDH1A1POLBRECQLMAPK1

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 KDM4E 3392/4885ALDH1A1 2765/4885POLB 1589/4885

“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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