SCHEMBL22286202

SCHEMBL22286202

Cc1cc(F)ccc1-n1nc(C)c(C(=O)O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.42
NR3C2 P08235 1/20 0.40
SCN9A Q15858 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL20550778 0.87 LMNA (0.57) LMNAHPGDNR3C2SCN9ACYP1A2
SCHEMBL20551305 0.84 PDE4D (0.50) LMNAHPGDKMT2AL3MBTL1GABRP
SCHEMBL20551576 0.80 HPGD (0.56) LMNAHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL20551408 0.78 HPGD (0.54) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL13982935 0.78 SCN9A (0.56) HPGDSCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL31673548 0.75 LMNA (0.59) LMNACYP1A2CYP2C9CYP2C19POLB
SCHEMBL20551308 0.74 HPGD (0.49) LMNAHPGDSCN9ACYP1A2CYP2C9
SCHEMBL18172039 0.72 HPGD (0.50) LMNAHPGDSCN9ACYP1A2CYP2C9
SCHEMBL5067031 0.72 HPGD (0.73) LMNAHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL1822343 0.72 ALDH1A1 (0.49) LMNANR3C2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 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 (1 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 LMNA 3874/4885HPGD 16/4885NR3C2 522/4885

“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.