SCHEMBL781368

SCHEMBL781368

CC(C)CC(NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.53
HPGDS O60760 1/20 0.51
CA1 P00915 3/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CA2 P00918 3/20 0.46
EEF1A1 P68104 1/20 0.45
EEF1A2 Q05639 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
CNR2 P34972 1/20 0.44
F3 P13726 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL781369 1.00 CLPP (0.53) CLPPHPGDSCA1CA12CA9
SCHEMBL3034549 0.79 CLPP (0.44) CLPPALDH1A1KMT2AGAAHPGD
SCHEMBL3034546 0.79 CLPP (0.44) CLPPALDH1A1KMT2AGAAHPGD
SCHEMBL457080 0.78 ALDH1A1 (0.56) CLPPHPGDSCA1CA12CA9
SCHEMBL455429 0.78 ALDH1A1 (0.56) CLPPHPGDSCA1CA12CA9
SCHEMBL455428 0.78 ALDH1A1 (0.56) CLPPHPGDSCA1CA12CA9
SCHEMBL31546603 0.75 ALDH1A1 (0.62) ALDH1A1POLBKMT2AGAAHPGD
SCHEMBL31546643 0.75 ALDH1A1 (0.62) ALDH1A1POLBKMT2AGAAHPGD
SCHEMBL11602108 0.74 MAPT (0.52) ALDH1A1POLBKMT2ACA2GAA
SCHEMBL9755640 0.74 ALDH1A1 (0.52) CLPPHPGDSCA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 US claimed
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2015-01-22 US claimed
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-03-22 US claimed
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO claimed
US-10881656-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2021-01-05 US disclosed
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 US disclosed
US-9604958-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2017-03-28 US disclosed
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2015-01-22 US disclosed
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-03-22 US disclosed
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 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 (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-10881656-B2 HIF inhibitors and use thereof HIF1AN, HIF1A, EGLN3 CLPP 3576/4885HPGDS 45/4885CA1 2233/4885
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 CLPP 3576/4885HPGDS 45/4885CA1 2233/4885
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 CLPP 3576/4885HPGDS 45/4885CA1 2233/4885
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 CLPP 3576/4885HPGDS 45/4885CA1 2233/4885

“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.