SCHEMBL4496029

SCHEMBL4496029

O=C1Nc2cc(Cl)ccc2/C1=C(/Nc1ccc(CN(CCO)CCO)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGER1 P34995 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 2/20 0.33
HDAC1 Q13547 1/20 0.33
TGM2 P21980 1/20 0.33
KIT P10721 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
BACE1 P56817 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
SCHEMBL4489331 0.92 CES1 (0.38) TMEM97SIGMAR1CES1ALDH1A1RXFP1
SCHEMBL4489328 0.92 CES1 (0.38) TMEM97SIGMAR1CES1ALDH1A1RXFP1
SCHEMBL4477744 0.92 RORC (0.43) TMEM97SIGMAR1CES1
SCHEMBL4477743 0.92 RORC (0.43) TMEM97SIGMAR1CES1
SCHEMBL4491461 0.91 TMEM97 (0.45) TMEM97SIGMAR1
SCHEMBL4491462 0.91 TMEM97 (0.45) TMEM97SIGMAR1
SCHEMBL4497710 0.90 MAPK1 (0.42) TMEM97SIGMAR1CES1ALDH1A1RXFP1
SCHEMBL4494338 0.90 MAPK1 (0.42) TMEM97SIGMAR1CES1ALDH1A1RXFP1
SCHEMBL4480692 0.89 MEN1 (0.43) HTTTMEM97SIGMAR1ALDH1A1RXFP1
SCHEMBL4505927 0.89 ACHE (0.42) TMEM97SIGMAR1ALDH1A1KDM4EMAPT

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 HTT 3112/4885TMEM97 2293/4885SIGMAR1 916/4885

“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.