SCHEMBL20550832

SCHEMBL20550832

Cn1nc(C(F)(F)F)c(C(=O)OCC(=O)c2c(F)cccc2Cl)c1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 5/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL20551517 0.85 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20551655 0.84 LMNA (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20551667 0.81 CYP1A2 (0.46) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20552118 0.81 LMNA (0.45) LMNASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL20551651 0.81 LMNA (0.42) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20551466 0.80 LMNA (0.47) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20552377 0.80 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20551307 0.80 CYP1A2 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20553710 0.78 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20552140 0.78 L3MBTL1 (0.46) LMNAALDH1A1MEN1KMT2ARAB9A

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-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
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO 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 3874/4885ALDH1A1 467/4885SMN1; SMN2 3077/4885

“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.