SCHEMBL19063457

SCHEMBL19063457

CC#Cc1cnc(C(=O)CBr)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 14/20 0.45
▸ PARP1 P09874 1/20 0.37
▸ EGLN3 Q9H6Z9 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ APP P05067 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL19063456 0.81 EGLN1 (0.46) EGLN1PARP1EGLN3GRM5
SCHEMBL18335149 0.81 EGLN1 (0.49) EGLN1PTGESBACE1BACE2GRM5
SCHEMBL11130625 0.76 L3MBTL1 (0.42) GSK3B
SCHEMBL17224828 0.74 PLAU (0.41) BACE1GSK3B
SCHEMBL19063482 0.74 EGLN1 (0.34) EGLN1
SCHEMBL26743587 0.73 PTPN1 (0.39) GSK3B
SCHEMBL16711905 0.73 GSK3B (0.44) BACE1GSK3B
SCHEMBL784100 0.70 ALDH1A1 (0.58) —
SCHEMBL9316136 0.67 EGLN1 (0.50) EGLN1PARP1EGLN3
SCHEMBL14721117 0.67 ALDH1A1 (0.44) EGLN1EGLN3APPBACE1BACE2

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-10231454-B2 Fungicidal or bactericidal composition, and method for controlling diseases NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-03-19 — — US disclosed
US-20180220655-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-08-09 — — US disclosed
US-9974305-B2 Fungicidal or bactericidal composition, and method for controlling diseases NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 — — US disclosed
US-20170188580-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-06 — — 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 (3 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-20180220655-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NOX3, TH, CBR3 EGLN1 238/4885PARP1 4754/4885EGLN3 291/4885
US-10231454-B2 Fungicidal or bactericidal composition, and method for controlling diseases NOX3, TH, CBR3 EGLN1 238/4885PARP1 4754/4885EGLN3 291/4885
US-20170188580-A1 FUNGICIDAL OR BACTERICIDAL COMPOSITION, AND METHOD FOR CONTROLLING DISEASES NOX3, TH, CBR3 EGLN1 238/4885PARP1 4754/4885EGLN3 291/4885

“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.

Send feedback