SCHEMBL23769430

SCHEMBL23769430

COC(=O)c1ccc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2Br)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 4/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL23769423 0.90 HTT (0.46) HTTALDH1A1NPSR1RAB9ALMNA
SCHEMBL23843138 0.89 HTT (0.44) HTTALDH1A1NPSR1RAB9ALMNA
SCHEMBL23769364 0.79 KLKB1 (0.41) HTTALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL23769565 0.78 ALDH1A1 (0.32) HTTALDH1A1NPSR1RAB9ALMNA
SCHEMBL23769367 0.77 NPC1 (0.34) HTTRAB9ATDP1KMT2AL3MBTL1
SCHEMBL23769422 0.77 KLKB1 (0.49) HTTALDH1A1NPSR1RAB9ALMNA
SCHEMBL23768774 0.74 HDAC3 (0.38) ALDH1A1L3MBTL1
SCHEMBL23754045 0.73 KLKB1 (0.34)
SCHEMBL31357703 0.73 KLKB1 (0.34)
SCHEMBL23769569 0.72 KLKB1 (0.35) HTTALDH1A1NPSR1RAB9ALMNA

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.