SCHEMBL14745928

SCHEMBL14745928

CC(=O)CCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC1 Q13547 3/20 0.46
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 3/20 0.44
KLF5 Q13887 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL16367708 0.84 MAPK1 (0.56) MAPTHTTRAB9ANPC1TP53
SCHEMBL14741564 0.83 MAPT (0.48) MAPTHTTRAB9ANPC1HPGD
SCHEMBL14757480 0.82 MAPT (0.52) MAPTHTTRAB9ANPC1HPGD
SCHEMBL14741871 0.82 MAPT (0.63) MAPTHTTRAB9ANPC1TP53
SCHEMBL14741870 0.82 MAPT (0.63) MAPTHTTRAB9ANPC1TP53
SCHEMBL14741559 0.81 TP53 (0.50) MAPTHTTRAB9ANPC1TP53
Hydrochloric Acid SCHEMBL14741588 0.81 MAPT (0.51) MAPTHTTRAB9ANPC1HPGD
SCHEMBL14757467 0.80 HDAC2 (0.44) MAPTHTTRAB9ANPC1TP53
SCHEMBL14757469 0.80 HDAC8 (0.44) MAPTHTTRAB9ANPC1TP53
SCHEMBL14741420 0.80 TP53 (0.47) MAPTHTTRAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011508-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2015-01-08 US disclosed
US-20150011508-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2015-01-08 US disclosed
US-20150011508-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2015-01-08 US disclosed
EP-2751103-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2014-07-09 EP disclosed
WO-2013033116-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033116-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 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 (1 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-20150011508-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB MAPT 3899/4885HTT 2426/4885RAB9A 995/4885

“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.