SCHEMBL20488233

SCHEMBL20488233

COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
NSD2 O96028 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
CNR1 P21554 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
CNR2 P34972 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP19A1 P11511 1/20 0.48

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
SCHEMBL6486861 0.82 NSD2 (0.59) ALDH1A1NSD2LMNACNR1SMN1; SMN2
SCHEMBL30714250 0.81 SMN1; SMN2 (0.48) ALDH1A1NSD2LMNATP53CNR1
SCHEMBL30714118 0.80 SMN1; SMN2 (0.49) ALDH1A1NSD2LMNATP53SMN1; SMN2
SCHEMBL31370874 0.80 SMN1; SMN2 (0.49) ALDH1A1NSD2LMNATP53SMN1; SMN2
SCHEMBL4662757 0.80 CA9 (0.50) LMNACNR2CA1CA2CA7
SCHEMBL25408197 0.79 CNR1 (0.48) ALDH1A1NSD2LMNATP53CNR1
SCHEMBL3914871 0.78 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2MAPTCYP19A1
SCHEMBL5960118 0.78 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2881016 0.78 ALDH1A1 (0.64) ALDH1A1TP53SMN1; SMN2MAPTCA1
SCHEMBL18555031 0.77 CNR1 (0.51) ALDH1A1NSD2LMNACNR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
CN-110709385-A Haloallylamine pyrazole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2020-01-17 CN disclosed
WO-2018157190-A9 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-10-25 WO disclosed
WO-2018157190-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-09-07 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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, AADAC ALDH1A1 301/4885NSD2 1933/4885LMNA 1069/4885

“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.