SCHEMBL21712949

SCHEMBL21712949

COC(=O)c1cc(I)c[nH]1.[Ar]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.37
ALPL P05186 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL370477 0.98 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL17992239 0.78 GABRP (0.49) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL8103043 0.77 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL162449 0.76 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL21060866 0.76 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL70354 0.76 BAZ2B (0.71) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL5202768 0.76 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1CYP1A2GAA
Hydrochloric Acid SCHEMBL653318 0.76 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL20763689 0.74 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL1298467 0.74 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1CYP1A2GAA

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 3 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
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US 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 BAZ2B 1422/4885BAZ2A 1637/4885ALDH1A1 1415/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 BAZ2B 1422/4885BAZ2A 1637/4885ALDH1A1 1415/4885

“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.