SCHEMBL21712907

SCHEMBL21712907

CCOC(=O)c1ccc(Br)n1COCC[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 4/20 0.37
TARBP2 Q15633 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 1/20 0.34
DGAT1 O75907 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL16396084 0.81 IDO1 (0.41) IDO1NPC1MAPTTARBP2KDM4E
SCHEMBL16396093 0.79 MAPT (0.36) IDO1NPC1MAPTTARBP2HTT
SCHEMBL12777661 0.78 MAPT (0.40) NPC1MAPTHTTKDM4EALDH1A1
SCHEMBL20552660 0.78 NOD2 (0.42) IDO1NPC1MAPTTARBP2HTT
SCHEMBL16792683 0.78 NOD2 (0.42) NPC1MAPTTARBP2HTTKDM4E
SCHEMBL30414625 0.76 F2RL1 (0.38) IDO1NPC1KDM4EALDH1A1POLB
SCHEMBL23326952 0.76 NPC1 (0.38) IDO1NPC1MAPTHTTKDM4E
SCHEMBL28497663 0.76 DGAT1 (0.40) NPC1MAPTDGAT1
SCHEMBL17231933 0.76 KLKB1 (0.38) IDO1NPC1MAPTTARBP2HTT
SCHEMBL17593262 0.76 TDP1 (0.39) IDO1NPC1MAPTALDH1A1POLB

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
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed
CN-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed
CN-113039181-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2021-06-25 CN disclosed
EP-3837252-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-06-23 EP disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US 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-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 IDO1 684/4885NPC1 1802/4885MAPT 3454/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 IDO1 684/4885NPC1 1802/4885MAPT 3454/4885

“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.