SCHEMBL17331340

SCHEMBL17331340

COc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3cccnc3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.57
▸ NFE2L2 Q16236 1/20 0.57
▸ GAA P10253 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ RAB9A P51151 1/20 0.55
▸ NAMPT P43490 2/20 0.54
▸ TCF4 P15884 1/20 0.53
▸ CTNNB1 P35222 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ROCK2 O75116 1/20 0.52
▸ PRKCA P17252 1/20 0.52
▸ GRK2 P25098 1/20 0.52

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
SCHEMBL16430155 0.84 KMT2A (0.77) KMT2AMEN1RAB9ATCF4CTNNB1
SCHEMBL16430359 0.83 MEN1 (0.64) KMT2AMEN1RAB9ATCF4CTNNB1
SCHEMBL17331308 0.83 KMT2A (0.50) KEAP1NFE2L2GAAKMT2AMEN1
SCHEMBL17331320 0.81 SMN1; SMN2 (0.53) GAAKMT2AMEN1NAMPTTDP1
SCHEMBL5083625 0.80 KMT2A (0.77) GAAKMT2AMEN1RAB9ATDP1
SCHEMBL17331342 0.80 NAMPT (0.56) GAAKMT2AMEN1NAMPTTDP1
SCHEMBL29437162 0.79 MEN1 (0.70) KMT2AMEN1NAMPTTDP1
SCHEMBL21227025 0.79 MEN1 (0.70) KMT2AMEN1NAMPTTDP1
SCHEMBL17331319 0.79 SMN1; SMN2 (0.54) GAAKMT2AMEN1TDP1
SCHEMBL17331338 0.78 NAMPT (0.54) KEAP1NFE2L2GAAKMT2AMEN1

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-9701627-B2 LRRK2 GTP binding inhibitors for treatment of Parkinson's disease and neuroinflammatory disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-11 — — US disclosed
US-9701627-B2 LRRK2 GTP binding inhibitors for treatment of Parkinson's disease and neuroinflammatory disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-11 — — US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 — — US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 — — 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 (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-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS LRRK2, PARK7, SNCA KEAP1 434/4885NFE2L2 779/4885GAA 422/4885

“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