SCHEMBL4502853

SCHEMBL4502853

CN(C)CCN(c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
PLK1 P53350 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NAMPT P43490 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
CES1 P23141 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4502856 1.00 RORC (0.37) RORCPLK1TMEM97SIGMAR1NAMPT
SCHEMBL4488048 0.93 CES1 (0.34) PLK1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4488044 0.93 CES1 (0.34) PLK1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4495343 0.91 NPSR1 (0.33) PLK1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4495336 0.91 NPSR1 (0.33) PLK1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4506035 0.91 RORC (0.37) RORCNAMPTKMT2AMEN1ALDH1A1
SCHEMBL4506037 0.91 RORC (0.37) RORCNAMPTKMT2AMEN1ALDH1A1
SCHEMBL4494272 0.91 GAA (0.38) PLK1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4494278 0.91 GAA (0.38) PLK1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4485541 0.90 RORC (0.37) RORCNAMPTKMT2AMEN1KDM4E

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 RORC 309/4885PLK1 86/4885TMEM97 2293/4885

“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.