SCHEMBL4501266

SCHEMBL4501266

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
P2RX1 P51575 2/20 0.35
CHEK1 O14757 4/20 0.35
MAPT P10636 4/20 0.35
TRPV1 Q8NER1 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX4 Q99571 1/20 0.33
P2RX7 Q99572 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
MEN1 O00255 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
SCHEMBL4486249 0.87 CASP3 (0.42) CA1CA2CA12CA9MAPT
SCHEMBL4501271 0.85 LSS (0.38) CA1CA2CA12CA9P2RX1
SCHEMBL4501269 0.85 LSS (0.38) CA1CA2CA12CA9P2RX1
SCHEMBL227368 0.85 NPC1 (0.42) CA1CA2CA12CA9P2RX1
SCHEMBL4487044 0.81 CES1 (0.39) CA1CA2CA12CA9CHEK1
SCHEMBL228293 0.80 MEN1 (0.43) MAPTMEN1POLBKMT2AKDR
SCHEMBL4496688 0.80 KMT2A (0.38) CA1CA2CA12CA9MAPT
SCHEMBL3934620 0.80 MAPT (0.37) CA1CA2CA12CA9MAPT
SCHEMBL226490 0.79 RXFP1 (0.38) CA1CA2CA12CA9CHEK1
SCHEMBL226771 0.79 TMPRSS4 (0.40) CA1CA2CA12CA9MAPT

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 CA1 4545/4885CA2 2629/4885CA12 4682/4885

“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.