SCHEMBL21201597

SCHEMBL21201597

CC(C)c1ccc(Cn2ccccc2=O)cc1CC(C)c1ccc(Cn2ccncc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ KLKB1 P03952 16/20 0.35
▸ KLK1 P06870 4/20 0.35
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32

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
SCHEMBL21201591 0.76 NPBWR1 (0.40) KLKB1
SCHEMBL17540820 0.72 POLB (0.54) KEAP1NFE2L2KLKB1KLK1POLB
SCHEMBL22148839 0.71 KLKB1 (0.37) KEAP1NFE2L2KLKB1
SCHEMBL19263412 0.71 KEAP1 (0.49) KEAP1NFE2L2KLKB1KLK1POLB
SCHEMBL19501407 0.70 KLKB1 (0.41) KEAP1NFE2L2KLKB1KLK1POLB
SCHEMBL19322642 0.70 KEAP1 (0.48) KEAP1NFE2L2KLKB1KLK1POLB
SCHEMBL7614386 0.69 KDM4C (0.50) POLB
SCHEMBL16881377 0.68 KLKB1 (0.40) KLKB1KLK1POLBNPSR1
SCHEMBL7617006 0.67 CYP11B1 (0.54) —
SCHEMBL17229327 0.67 POLB (0.50) KEAP1NFE2L2KLKB1KLK1POLB

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-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 — — US disclosed
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors DRI UK LP (KY) 2019-10-03 — — US disclosed
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-30 — — 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 (3 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-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KEAP1 745/4885NFE2L2 3768/4885KLKB1 1/4885
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 KEAP1 694/4885NFE2L2 3748/4885KLKB1 1/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KEAP1 694/4885NFE2L2 3748/4885KLKB1 1/4885

“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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