SCHEMBL4495823

SCHEMBL4495823

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
KMT2A Q03164 4/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3934842 1.00 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1LMNA
SCHEMBL4476546 0.91 CASP3 (0.37) MAPTKMT2AMAPK1L3MBTL1LMNA
SCHEMBL3943046 0.90 NPC1 (0.33) CA12CA1CA2CA9NPC1
SCHEMBL3934845 0.88 MAPT (0.39) MAPTKMT2AMAPK1L3MBTL1LMNA
SCHEMBL4495826 0.88 MAPT (0.39) MAPTKMT2AMAPK1L3MBTL1LMNA
SCHEMBL227304 0.87 KDR (0.36) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4506120 0.85 LRRK2 (0.42) MAPTKMT2AMEN1ALDH1A1CA12
SCHEMBL4500469 0.84 LRRK2 (0.35) MAPTKMT2AL3MBTL1LMNAMEN1
SCHEMBL4494848 0.84 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1LMNA
SCHEMBL3935258 0.84 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1LMNA

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 2 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

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 MAPT 545/4885KMT2A 3530/4885MAPK1 273/4885

“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.