SCHEMBL754128

SCHEMBL754128

CN(C)CCN(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
HCAR3 P49019 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
ADRA1A P35348 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
Hydrochloric Acid SCHEMBL3966111 0.98 ALDH1A1 (0.45) ALDH1A1KDM4EHCAR3HSD17B10POLB
SCHEMBL11154622 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHCAR3POLBMEN1
SCHEMBL21590304 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHCAR3HSD17B10POLB
SCHEMBL6013576 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHCAR3HSD17B10POLB
SCHEMBL9011356 0.81 MAPT (0.48) ALDH1A1KDM4EHCAR3HSD17B10MEN1
SCHEMBL8949604 0.80 HSD17B10 (0.42) ALDH1A1KDM4EHCAR3HSD17B10POLB
SCHEMBL30936706 0.78 MAPT (0.59) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL17269972 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EHCAR3HSD17B10TDP1
SCHEMBL16003514 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHCAR3TDP1TSHR
SCHEMBL20893354 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHCAR3HSD17B10POLB

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 US disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
EP-2223922-A2 Inhibitors of human phosphatidyl-inositol 3-kinase delta ICOS Corporation (US) 2010-09-01 EP disclosed
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-07-01 US disclosed
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 US disclosed
US-7662813-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2010-02-16 US disclosed
US-7517367-B2 Cationic naphthyldiazo dyes and keratin fibers-coloring agents containing these dyes WELLA AG (DE) 2009-04-14 US disclosed
US-20080167453-A1 Cationic Naphthyldiazo Dyes and Keratin Fibers-Coloring Agents Containing These Dyes WELLA AG (DE) 2008-07-10 US disclosed
EP-1939203-A2 Inhibitors of human phosphatidyl-inositol 3-kinase delta isoform ICOS Corporation (US) 2008-07-02 EP disclosed
EP-1740657-B1 CATIONIC NAPHTHYLDIAZO DYES AND AGENTS CONTAINING SAID DYES USED TO COLOUR KERATIN FIBRES WELLA AG (DE) 2007-09-12 EP disclosed
US-20070155809-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-07-05 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 (10 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-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885HCAR3 2931/4885
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885HCAR3 2931/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885HCAR3 2931/4885
US-20080167453-A1 Cationic Naphthyldiazo Dyes and Keratin Fibers-Coloring Agents Containing These Dyes KRT18, KPNB1, KPNA3 ALDH1A1 1280/4885KDM4E 2208/4885HCAR3 3684/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4707/4885KDM4E 2655/4885HCAR3 2896/4885
US-20070155809-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885KDM4E 3468/4885HCAR3 2228/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885HCAR3 2931/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885HCAR3 2931/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885HCAR3 2931/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885KDM4E 2571/4885HCAR3 2931/4885

“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.