SCHEMBL19255430

SCHEMBL19255430

CSc1c(C)[nH]c2ccc(C(C)=O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
GFER P55789 1/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
PSMD14 O00487 1/20 0.40
RECQL P46063 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL11615811 0.81 HCRTR1 (0.71) ALDH1A1KDM4EHPGDHCRTR1KMT2A
SCHEMBL14211006 0.80 KDM4E (0.75) KIF11ALDH1A1KDM4ETHRBHPGD
SCHEMBL11611422 0.78 KDM4E (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2HTR1D
SCHEMBL19211784 0.78 KIF11 (0.56) KIF11ALDH1A1KDM4ETHRBHPGD
SCHEMBL2333579 0.77 KIF11 (0.74) KIF11ALDH1A1KDM4ETHRBHPGD
SCHEMBL31506909 0.77 KIF11 (0.74) KIF11ALDH1A1KDM4ETHRBHPGD
SCHEMBL30366673 0.77 KIF11 (0.74) KIF11ALDH1A1KDM4ETHRBHPGD
SCHEMBL11609847 0.76 SMN1; SMN2 (0.47) KIF11ALDH1A1KDM4EHPGDKMT2A
SCHEMBL11613418 0.73 IDO1 (0.58) ALDH1A1HPGDKMT2AMAPTSMN1; SMN2
SCHEMBL10666252 0.73 IDO1 (0.38) ALDH1A1KDM4ETHRBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
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-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
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 KIF11 4078/4885ALDH1A1 326/4885KDM4E 425/4885
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT KIF11 4078/4885ALDH1A1 326/4885KDM4E 425/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT KIF11 4078/4885ALDH1A1 326/4885KDM4E 425/4885

“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.