SCHEMBL23769423

SCHEMBL23769423

COC(=O)c1ccc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KLKB1 P03952 8/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX12 P18054 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23769430 0.90 HTT (0.46) HTTALDH1A1NPSR1L3MBTL1KMT2A
SCHEMBL23769364 0.89 KLKB1 (0.41) HTTALDH1A1KLKB1L3MBTL1TDP1
SCHEMBL23843138 0.89 HTT (0.44) HTTALDH1A1NPSR1KLKB1L3MBTL1
SCHEMBL23769422 0.87 KLKB1 (0.49) HTTALDH1A1NPSR1KLKB1L3MBTL1
SCHEMBL23769569 0.78 KLKB1 (0.35) HTTALDH1A1NPSR1KLKB1L3MBTL1
SCHEMBL23769133 0.78 KLKB1 (0.46) KLKB1
SCHEMBL23769367 0.77 NPC1 (0.34) HTTKLKB1L3MBTL1KMT2ARAB9A
SCHEMBL23754098 0.77 KLKB1 (0.44) KLKB1
SCHEMBL29906582 0.77 KLKB1 (0.44) KLKB1
SCHEMBL23769268 0.76 KLKB1 (0.42) KLKB1

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 HTT 3536/4885ALDH1A1 1223/4885NPSR1 475/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 HTT 3536/4885ALDH1A1 1223/4885NPSR1 475/4885

“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.