SCHEMBL23769678

SCHEMBL23769678

CCOC(=O)c1ccc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2CC)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KLKB1 P03952 8/20 0.34
PDE10A Q9Y233 1/20 0.33
JAK3 P52333 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 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
SCHEMBL23769378 0.94 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL23768772 0.91 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL26312230 0.91 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL23769473 0.90 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL23768774 0.89 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL26310284 0.89 PTGER2 (0.35) ALDH1A1KLKB1MEN1KMT2AHPGD
SCHEMBL23769176 0.89 PTGER2 (0.35) ALDH1A1KLKB1MEN1KMT2AHPGD
SCHEMBL23768929 0.88 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL23843233 0.85 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL23769464 0.81 KLKB1 (0.33) HDAC4HDAC6ALDH1A1KLKB1PDE10A

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 HDAC3 517/4885HDAC4 810/4885HDAC1 286/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 HDAC3 517/4885HDAC4 810/4885HDAC1 286/4885

“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.