SCHEMBL4488574

SCHEMBL4488574

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.37
ALDH1A1 P00352 2/20 0.35
PLK1 P53350 3/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
UTS2R Q9UKP6 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PYGL P06737 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 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
SCHEMBL4488575 1.00 SLC6A9 (0.37) SLC6A9ALDH1A1PLK1TMEM97SIGMAR1
SCHEMBL4492760 0.93 SLC6A9 (0.37) SLC6A9ALDH1A1PLK1TMEM97SIGMAR1
SCHEMBL4492768 0.93 SLC6A9 (0.37) SLC6A9ALDH1A1PLK1TMEM97SIGMAR1
SCHEMBL4500471 0.92 ALDH1A1 (0.37) SLC6A9ALDH1A1RXFP1PYGLNPC1
SCHEMBL4500472 0.92 ALDH1A1 (0.37) SLC6A9ALDH1A1RXFP1PYGLNPC1
SCHEMBL4487413 0.92 ALDH1A1 (0.36) SLC6A9ALDH1A1PLK1RXFP1PYGL
SCHEMBL4487415 0.92 ALDH1A1 (0.36) SLC6A9ALDH1A1PLK1RXFP1PYGL
SCHEMBL4485330 0.91 KDM4E (0.34) SLC6A9PLK1F10KDM4EMAPT
SCHEMBL4485319 0.91 KDM4E (0.34) SLC6A9PLK1F10KDM4EMAPT
SCHEMBL4504399 0.91 PLK1 (0.35) SLC6A9ALDH1A1PLK1TMEM97SIGMAR1

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 SLC6A9 2185/4885ALDH1A1 2036/4885PLK1 86/4885

“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.