SCHEMBL17693909

SCHEMBL17693909

CC(C)c1ccc(Cn2cc(C(N)=O)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KLKB1 P03952 8/20 0.48
▸ KLK1 P06870 1/20 0.48
▸ LMNA P02545 1/20 0.45
▸ ESRRG P62508 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ JAK3 P52333 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ACACB O00763 1/20 0.41

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
SCHEMBL4188538 0.87 HSD17B10 (0.61) ALDH1A1KDM4EHSD17B10KLKB1KLK1
SCHEMBL31591079 0.86 KLKB1 (0.44) ALDH1A1KDM4EHSD17B10KLKB1KLK1
SCHEMBL17696410 0.84 KLKB1 (0.55) ALDH1A1KDM4EHSD17B10KLKB1KLK1
SCHEMBL31591076 0.82 KLKB1 (0.51) ALDH1A1KDM4EHSD17B10KLKB1KLK1
SCHEMBL15964732 0.81 KLKB1 (0.60) ALDH1A1KDM4EHSD17B10KLKB1LMNA
SCHEMBL2272882 0.81 L3MBTL1 (0.57) ALDH1A1KDM4EHSD17B10KLKB1MEN1
SCHEMBL31591087 0.81 KLKB1 (0.46) ALDH1A1KDM4EHSD17B10KLKB1KLK1
SCHEMBL31591091 0.78 KLKB1 (0.48) ALDH1A1KDM4EHSD17B10KLKB1KLK1
SCHEMBL31591063 0.78 KLKB1 (0.47) ALDH1A1KDM4EHSD17B10KLKB1KLK1
SCHEMBL31591069 0.78 KLKB1 (0.45) ALDH1A1KDM4EHSD17B10KLKB1KLK1

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-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 — — US disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 — — 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-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 ALDH1A1 1517/4885KDM4E 1167/4885HSD17B10 1354/4885

“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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