SCHEMBL19307111

SCHEMBL19307111

COc1ccccc1NC(=O)Nc1cc(-c2ccc3ccncc3c2)n(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
MAPT P10636 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
AHR P35869 1/20 0.48
LMNA P02545 3/20 0.46
GMNN O75496 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL29614706 1.00 KDM4E (0.53) KDM4EMAPTSMN1; SMN2AHRLMNA
SCHEMBL19307218 0.87 RAB9A (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL29614745 0.87 RAB9A (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL19307104 0.86 IMPDH2 (0.42) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL29614871 0.86 IMPDH2 (0.42) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL29614729 0.84 IMPDH2 (0.54) MAPTADORA3MEN1KMT2ANPC1
SCHEMBL19307170 0.84 IMPDH2 (0.54) MAPTADORA3MEN1KMT2ANPC1
SCHEMBL29614804 0.83 F10 (0.40) SIRT2IMPDH2
SCHEMBL19307230 0.79 IMPDH2 (0.55) IMPDH2HTT
SCHEMBL29614770 0.79 IMPDH2 (0.55) IMPDH2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 US disclosed
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 US disclosed
US-10125123-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2018-11-13 US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 US 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 (6 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-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 KDM4E 3444/4885MAPT 1670/4885SMN1; SMN2 1361/4885
US-10125123-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 KDM4E 3437/4885MAPT 1597/4885SMN1; SMN2 1461/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 KDM4E 3444/4885MAPT 1670/4885SMN1; SMN2 1361/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 KDM4E 3937/4885MAPT 4843/4885SMN1; SMN2 2562/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 KDM4E 3437/4885MAPT 1597/4885SMN1; SMN2 1461/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 KDM4E 3444/4885MAPT 1670/4885SMN1; SMN2 1361/4885

“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.