SCHEMBL9951830

SCHEMBL9951830

CC#Cc1ncccc1NC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
NLRP3 Q96P20 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDR P35968 1/20 0.40
PPIA P62937 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
SCHEMBL1680617 0.87 BRD4 (0.49) BRD4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL29450013 0.85 NLRP3 (0.55) BRD4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL19211817 0.83 POLB (0.44) BRD4ALDH1A1HPGDKMT2AMEN1
SCHEMBL1476028 0.79 ALDH1A1 (0.49) BRD4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL9850789 0.79 ALDH1A1 (0.54) BRD4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL1680541 0.77 ALDH1A1 (0.52) BRD4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7215869 0.77 ALDH1A1 (0.52) BRD4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL9952098 0.77 ALDH1A1 (0.60) BRD4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL1011405 0.75 KMT2A (0.63) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL6262897 0.75 ALDH1A1 (0.50) BRD4ALDH1A1HPGDCYP1A2CYP2C19

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 11 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-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
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 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 (4 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 BRD4 304/4885ALDH1A1 326/4885HPGD 77/4885
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT BRD4 304/4885ALDH1A1 326/4885HPGD 77/4885
US-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 BRD4 2014/4885ALDH1A1 314/4885HPGD 276/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT BRD4 304/4885ALDH1A1 326/4885HPGD 77/4885

“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.