SCHEMBL9952098

SCHEMBL9952098

CCOC(=O)Nc1cccnc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 1/20 0.52
BRD4 O60885 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL27949233 0.85 GAA (0.51) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL16264456 0.85 GPR35 (0.67) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL7215869 0.85 ALDH1A1 (0.52) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL24411317 0.84 SMN1; SMN2 (0.50) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL9850789 0.83 ALDH1A1 (0.54) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL6262897 0.82 ALDH1A1 (0.50) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL1680541 0.82 ALDH1A1 (0.52) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL13780123 0.80 RAB9A (0.64) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL1011405 0.79 KMT2A (0.63) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL3784358 0.79 ALDH1A1 (0.73) ALDH1A1KMT2ASMN1; SMN2HTTHPGD

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 ALDH1A1 326/4885KMT2A 611/4885POLB 2423/4885
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT ALDH1A1 326/4885KMT2A 611/4885POLB 2423/4885
US-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 ALDH1A1 314/4885KMT2A 2910/4885POLB 3688/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT ALDH1A1 326/4885KMT2A 611/4885POLB 2423/4885

“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.