SCHEMBL4486258

SCHEMBL4486258

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LSS P48449 1/20 0.40
CASP3 P42574 2/20 0.39
CASP2 P42575 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP1 P03956 2/20 0.37

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
SCHEMBL4486253 1.00 ALDH1A1 (0.41) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL227370 0.91 LSS (0.48) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL227369 0.91 LSS (0.48) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL6320468 0.89 EGFR (0.44) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL6320462 0.89 EGFR (0.44) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL4501271 0.88 LSS (0.38) ALDH1A1MEN1MAPTKMT2ALSS
SCHEMBL4501269 0.88 LSS (0.38) ALDH1A1MEN1MAPTKMT2ALSS
SCHEMBL4488110 0.88 LSS (0.43) MAPTKDM4ELSSF10KLKB1
SCHEMBL4488105 0.88 LSS (0.43) MAPTKDM4ELSSF10KLKB1
SCHEMBL6322864 0.87 MAPT (0.40) ALDH1A1HTTMEN1MAPTKMT2A

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 ALDH1A1 2036/4885HTT 3112/4885MEN1 1288/4885

“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.