SCHEMBL4493369

SCHEMBL4493369

O=C1Nc2cc(Cl)ccc2C1=C(Nc1ccc(CNCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SNCA P37840 1/20 0.37
CETP P11597 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL4493365 1.00 CES1 (0.39) CES1RXFP1KDM4EMAPTALDH1A1
SCHEMBL4495110 0.91 HDAC1 (0.39) CES1RXFP1KDM4EMAPTNPSR1
SCHEMBL4495019 0.91 HIF1A (0.40) CES1RXFP1KDM4EMAPTHDAC1
SCHEMBL4495012 0.91 HIF1A (0.40) CES1RXFP1KDM4EMAPTHDAC1
SCHEMBL4484605 0.90 HDAC1 (0.39) CES1RXFP1KDM4EMAPTALDH1A1
SCHEMBL4484602 0.90 HDAC1 (0.39) CES1RXFP1KDM4EMAPTALDH1A1
SCHEMBL4491667 0.90 PLK1 (0.37) CES1RXFP1KDM4ENPSR1HDAC1
SCHEMBL4507715 0.89 CES1 (0.46) CES1RXFP1KDM4EMAPTALDH1A1
SCHEMBL4507721 0.89 CES1 (0.46) CES1RXFP1KDM4EMAPTALDH1A1
SCHEMBL4492220 0.89 PDCD1 (0.40) RXFP1KDM4EALDH1A1NPSR1MEN1

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 CES1 2176/4885RXFP1 425/4885KDM4E 1648/4885

“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.