SCHEMBL2948434

SCHEMBL2948434

NCc1ccc(CO)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
KIF11 P52732 1/20 0.37
EGFR P00533 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
CA2 P00918 1/20 0.34
ABAT P80404 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL2007285 0.85 LOXL2 (0.48) LOXL2TAAR1IDO1AGXTABAT
SCHEMBL522479 0.85 EGFR (0.43) CYP4F2CYP4A11KIF11EGFRSLC6A2
SCHEMBL28061149 0.84 KDM4E (0.44) LOXL2TAAR1SLC6A2CA2
SCHEMBL2386178 0.83 CYP4F2 (0.43) CYP4F2CYP4A11LOXL2KIF11TAAR1
SCHEMBL18562850 0.83 LOXL2 (0.43) LOXL2TAAR1IDO1AGXTABAT
SCHEMBL6563067 0.81 TAAR1 (0.52) TAAR1SLC6A2
SCHEMBL23199297 0.80 EGFR (0.39) LOXL2EGFRCA2ABATPRSS1
SCHEMBL2389571 0.79 TAAR1 (0.45) LOXL2KIF11TAAR1IDO1AGXT
SCHEMBL14491132 0.79 CYP4F2 (0.47) CYP4F2CYP4A11KIF11EGFRSLC6A2
Hydrochloric Acid SCHEMBL6563097 0.79 TAAR1 (0.50) TAAR1SLC6A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
US-11807620-B2 Quinazolinone compounds and related compounds Plexium, Inc. (US) 2023-11-07 US disclosed
CN-102099344-B Imidazole carboxamides LILLY CO ELI 2013-10-30 CN disclosed
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
CN-102099344-A Imidazole carboxamides LILLY CO ELI 2011-06-15 CN disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US disclosed
CN-1471512-A Geminally substituted alphavβ3Integrin antagonists 2004-01-28 CN 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC CYP4F2 305/4885CYP4A11 173/4885LOXL2 4786/4885
US-11807620-B2 Quinazolinone compounds and related compounds NQO2, COQ8A, PARK7 CYP4F2 699/4885CYP4A11 1630/4885LOXL2 2340/4885

“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.