SCHEMBL4496747

SCHEMBL4496747

CN(C(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 6/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDC7 O00311 1/20 0.45
GAA P10253 3/20 0.44
MITF O75030 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 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
SCHEMBL11002701 0.90 ALDH1A1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL177662 0.83 MAPT (0.53) L3MBTL1ALDH1A1MAPTPOLBNPC1
SCHEMBL15567363 0.81 ALDH1A1 (0.75) L3MBTL1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL9264299 0.79 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTPOLBNPC1
SCHEMBL9760955 0.79 MAPT (0.64) L3MBTL1ALDH1A1MAPTPOLBNPC1
SCHEMBL4496741 0.79 MMP13 (0.59) L3MBTL1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL1532324 0.78 ALDH1A1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL2103568 0.78 MAPK1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL13666325 0.77 ALDH1A1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL28013196 0.77 L3MBTL1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR L3MBTL1 4639/4885ALDH1A1 2036/4885SMN1; SMN2 4006/4885

“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.