SCHEMBL19255633

SCHEMBL19255633

CCOC(=O)Nc1ccncc1I

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL4466882 0.79 ALDH1A1 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4037373 0.79 NAMPT (0.47) NAMPT
SCHEMBL6774875 0.79 KDM4C (0.42) SMN1; SMN2ALDH1A1
SCHEMBL30766099 0.78 NLRP3 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2090928 0.78 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL19255631 0.77 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL3787548 0.77 CA1 (0.49) ALDH1A1HPGD
SCHEMBL6515388 0.77 CYP17A1 (0.40) NAMPT
SCHEMBL404929 0.76 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2070682 0.76 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1

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-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-02-07 US disclosed
WO-2017136870-A9 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136870-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 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 (3 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-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT CYP1A2 134/4885CYP2C9 542/4885CYP2C19 534/4885
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT CYP1A2 134/4885CYP2C9 542/4885CYP2C19 534/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT CYP1A2 134/4885CYP2C9 542/4885CYP2C19 534/4885

“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.