SCHEMBL20915779

SCHEMBL20915779

Cc1cc2nc(Cl)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
NR1H2 P55055 10/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.35
CDK2 P24941 1/20 0.35
NR1H3 Q13133 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL29594722 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL13844048 0.82 NR1H2 (0.38) GABRG2GABRB3GABRA5NR1H2GABRA1
SCHEMBL19249737 0.80 TRPV3 (0.39) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL22537577 0.80 CCR9 (0.40) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL15091451 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1LMNAKMT2A
SCHEMBL4389624 0.78 AKR1C3 (0.49) NR1H2LMNAKMT2ANR1H3AKR1C3
SCHEMBL17522859 0.77 HSP90AA1 (0.37) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL16205502 0.77 GABRG2 (0.41) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL32673595 0.77 CDK2 (0.44) HSP90AA1HSP90AB1GABRG2GABRB3GABRA5
SCHEMBL12685164 0.77 POLB (0.41) GABRG2GABRB3GABRA5NR1H2GABRA1

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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 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 (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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT HSP90AA1 2830/4885HSP90AB1 2383/4885GABRG2 4340/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT HSP90AA1 2830/4885HSP90AB1 2383/4885GABRG2 4340/4885

“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.