SCHEMBL1703147

SCHEMBL1703147

N#Cc1c(-c2ccc([N+](=O)[O-])cc2)ccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
IKBKB O14920 1/20 0.44
KDR P35968 1/20 0.42
VCAM1 P19320 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL16936423 0.77 KDM4E (0.54) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL15638514 0.77 KDM4E (0.61) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL27632468 0.77 MAPT (0.47) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL1162716 0.77 KDM4E (0.50) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL1702791 0.77 KDM4E (0.50) KDM4EALDH1A1LMNATDP1KDR
SCHEMBL30917005 0.77 IKBKB (0.52) KDM4EALDH1A1LMNAIKBKBKDR
SCHEMBL16681058 0.77 ALDH1A1 (0.59) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL16936478 0.76 KDM4E (0.49) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL2235616 0.74 MEN1 (0.47) ALDH1A1LMNATDP1IKBKBKDR
SCHEMBL2816582 0.74 MEN1 (0.41) KDM4EALDH1A1IKBKBKDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807424-B1 NOVEL KINASE INHIBITORS ABBOTT LAB (US) 2012-04-18 EP disclosed
US-7812166-B2 Kinase inhibitors ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
EP-1807424-A2 NOVEL KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-18 EP disclosed
US-20060178378-A1 Novel kinase inhibitors ABBVIE INC. 2006-08-10 US disclosed
WO-2006050109-A2 NOVEL KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-05-11 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-20060178378-A1 Novel kinase inhibitors ABL1, MAP3K19, MAP3K20 KDM4E 922/4885ALDH1A1 3754/4885LMNA 4320/4885

“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.