SCHEMBL4501271

SCHEMBL4501271

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc([N+](=O)[O-])c(O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KLKB1 P03952 2/20 0.35
F10 P00742 1/20 0.35
P2RX1 P51575 1/20 0.34
CHEK1 O14757 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
F11 P03951 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
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 0.32
RCOR1 Q9UKL0 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4501269 1.00 LSS (0.38) LSSMAPTKMT2AMAPK1L3MBTL1
SCHEMBL4486258 0.88 ALDH1A1 (0.41) LSSMAPTKMT2AKLKB1F10
SCHEMBL4486253 0.88 ALDH1A1 (0.41) LSSMAPTKMT2AKLKB1F10
SCHEMBL227370 0.86 LSS (0.48) LSSMAPTKMT2AKLKB1F10
SCHEMBL227369 0.86 LSS (0.48) LSSMAPTKMT2AKLKB1F10
SCHEMBL4501266 0.85 CA1 (0.37) MAPTKMT2AMAPK1KLKB1P2RX1
SCHEMBL4488110 0.85 LSS (0.43) LSSMAPTKLKB1F10CHEK1
SCHEMBL4488105 0.85 LSS (0.43) LSSMAPTKLKB1F10CHEK1
SCHEMBL227776 0.82 LSS (0.43) LSSMAPTKLKB1F10CA12
SCHEMBL4481018 0.82 LRRK2 (0.45) LSSMAPTKMT2AMAPK1KLKB1

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 LSS 2944/4885MAPT 545/4885KMT2A 3530/4885

“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.