Sugi Predict

Sugi Predict / Compounds / SCHEMBL23769304

SCHEMBL23769304

SCHEMBL23769304

CCOC(=O)c1cc(Cc2ccc(N3CC4CC4C3)nc2/C=C/c2ccccc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.39
▸ ADORA3 P0DMS8 3/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ HPGD P15428 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RBP4 P02753 1/20 0.32
▸ LMNA P02545 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
SCHEMBL23769302 0.89 ADORA3 (0.34) ADORA3ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL23843116 0.89 ADORA3 (0.34) ADORA3ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL23768964 0.88 KLKB1 (0.41) KLKB1KDM4EMAPTPDE10ARAB9A
SCHEMBL29906637 0.83 KLKB1 (0.41) KLKB1ALDH1A1HPGDKDM4EMAPT
SCHEMBL23768922 0.83 KLKB1 (0.41) KLKB1ALDH1A1HPGDKDM4EMAPT
SCHEMBL23768910 0.83 KLKB1 (0.41) KLKB1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23769298 0.82 KLKB1 (0.41) KLKB1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL23769404 0.81 KLKB1 (0.40) KLKB1ALDH1A1HPGDKDM4EMAPT
SCHEMBL23768962 0.77 KLKB1 (0.34) KLKB1MAPTPDE10ALMNANPSR1
SCHEMBL23769693 0.76 OGA (0.38) KLKB1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 — — US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 — — US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 — — US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 — — WO 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ADORA3 2344/4885ALDH1A1 1223/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885ADORA3 2344/4885ALDH1A1 1223/4885

“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.