SCHEMBL20489155

SCHEMBL20489155

Cc1n[nH]c(Cl)c1-c1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ GFER P55789 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LOXL2 Q9Y4K0 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL2595955 0.74 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL12813739 0.73 GSK3A (0.47) ALDH1A1NPC1RAB9ATDP1HPGD
SCHEMBL4435163 0.71 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL21945304 0.70 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ATDP1KDM4E
Hydrochloric Acid SCHEMBL29512216 0.70 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL7430043 0.69 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL7163455 0.69 RAB9A (0.63) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL16574194 0.69 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL29022628 0.69 PFKFB4 (0.58) ALDH1A1NPC1RAB9ALOXL2
SCHEMBL811119 0.68 HTR2A (0.55) ALDH1A1NPC1RAB9ATDP1KDM4E

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-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
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 301/4885NPC1 3243/4885RAB9A 2382/4885

“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.

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