SCHEMBL23768929

SCHEMBL23768929

CCOC(=O)c1ccc(Cc2ccc(N3CC4CC4C3)nc2CC)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 5/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE10A Q9Y233 1/20 0.35
JAK3 P52333 1/20 0.35
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RBP4 P02753 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
PDE5A O76074 1/20 0.32
CASP3 P42574 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL23769366 0.88 KLKB1 (0.40) ALDH1A1KLKB1MEN1KMT2ARBP4
SCHEMBL23769678 0.88 HDAC3 (0.38) ALDH1A1SMN1; SMN2KLKB1HDAC3HDAC4
SCHEMBL23769424 0.87 KLKB1 (0.37) ALDH1A1SMN1; SMN2KLKB1HDAC3HDAC4
SCHEMBL23769378 0.81 HDAC3 (0.37) ALDH1A1SMN1; SMN2KLKB1HDAC3HDAC4
SCHEMBL23768910 0.80 KLKB1 (0.41) ALDH1A1KLKB1PDE10AGAAMEN1
SCHEMBL23768772 0.78 HDAC3 (0.39) ALDH1A1SMN1; SMN2KLKB1HDAC3HDAC4
SCHEMBL26312230 0.78 HDAC3 (0.39) ALDH1A1SMN1; SMN2KLKB1HDAC3HDAC4
SCHEMBL23769368 0.77 ALPL (0.39) KLKB1PDE10AKMT2AL3MBTL1MAPT
SCHEMBL23769473 0.77 HDAC3 (0.41) ALDH1A1SMN1; SMN2KLKB1HDAC3HDAC4
SCHEMBL23769371 0.77 KLKB1 (0.41) SMN1; SMN2KLKB1PDE10AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
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-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
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 (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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885SMN1; SMN2 4693/4885KLKB1 1/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1223/4885SMN1; SMN2 4693/4885KLKB1 1/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885SMN1; SMN2 4693/4885KLKB1 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.