SCHEMBL4489124

SCHEMBL4489124

CN(C)CCNC(=O)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 2/20 0.42
AKT2 P31751 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDPK1 O15530 1/20 0.41
PDK1 Q15118 1/20 0.41
MCHR1 Q99705 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPK14 Q16539 2/20 0.40

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
SCHEMBL4489121 1.00 TMEM97 (0.43) TMEM97SIGMAR1HPGDKMT2ASMN1; SMN2
SCHEMBL4485365 0.95 NAMPT (0.46) TMEM97SIGMAR1HPGDKMT2ANAMPT
SCHEMBL4485359 0.95 NAMPT (0.46) TMEM97SIGMAR1HPGDKMT2ANAMPT
SCHEMBL6325855 0.89 NAMPT (0.46) HPGDKMT2ANAMPTAKT2TDP1
SCHEMBL6325852 0.89 NAMPT (0.46) HPGDKMT2ANAMPTAKT2TDP1
SCHEMBL3846251 0.89 MCHR1 (0.44) KMT2ANAMPTAKT2TDP1ALDH1A1
SCHEMBL4497225 0.87 SIGMAR1 (0.46) TMEM97SIGMAR1KMT2ANAMPTAKT2
SCHEMBL4494834 0.87 TMEM97 (0.46) TMEM97SIGMAR1HPGDKMT2AAKT2
SCHEMBL4497220 0.87 SIGMAR1 (0.46) TMEM97SIGMAR1KMT2ANAMPTAKT2
SCHEMBL4494839 0.87 TMEM97 (0.46) TMEM97SIGMAR1HPGDKMT2AAKT2

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 TMEM97 2293/4885SIGMAR1 916/4885HPGD 2420/4885

“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.