SCHEMBL20296248

SCHEMBL20296248

CN1CCN(c2nc3cc(C(N)=O)ccc3o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 2/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL18344028 0.88 HDAC6 (0.50) HDAC6LMNATSHR
SCHEMBL28821900 0.88 HDAC6 (0.49) HDAC6
SCHEMBL28821901 0.87 HRH3 (0.48) ALDH1A1HDAC6
SCHEMBL20296288 0.86 CNR2 (0.52) HDAC6LMNATSHR
SCHEMBL22227676 0.86 CNR2 (0.50) HDAC6
SCHEMBL18344109 0.85 HDAC6 (0.50) KDM4EALDH1A1HDAC6LMNATSHR
SCHEMBL29365272 0.85 HDAC6 (0.50) KDM4EALDH1A1HDAC6LMNATSHR
SCHEMBL3468711 0.84 HRH3 (0.52) HDAC6
SCHEMBL20296406 0.84 HDAC6 (0.53) HDAC6
SCHEMBL20296478 0.82 HDAC6 (0.45) HDAC6LMNATSHR

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-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US disclosed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB KDM4E 1452/4885ALDH1A1 176/4885HSD17B10 713/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB KDM4E 1452/4885ALDH1A1 176/4885HSD17B10 713/4885

“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.