SCHEMBL4486121

SCHEMBL4486121

CCC(=O)N(CCN(C)Cc1ccccc1)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.43
SIGMAR1 Q99720 9/20 0.43
ACHE P22303 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
LTA4H P09960 3/20 0.33
MCHR1 Q99705 1/20 0.33
BCHE P06276 1/20 0.33
F10 P00742 1/20 0.33
PDK1 Q15118 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL4485067 0.92 TMEM97 (0.44) TMEM97SIGMAR1ACHELTA4HMCHR1
SCHEMBL4496696 0.91 LIMK1 (0.36) MCHR1
SCHEMBL4496690 0.91 LIMK1 (0.36) MCHR1
SCHEMBL4497169 0.91 BACE1 (0.37) TMEM97SIGMAR1ACHELTB4R2LTA4H
SCHEMBL4486118 0.87 CNR1 (0.35) SIGMAR1ACHE
SCHEMBL4486126 0.87 CNR1 (0.35) SIGMAR1ACHE
SCHEMBL4488268 0.86 KDM4E (0.36) TMEM97SIGMAR1
SCHEMBL4488264 0.86 KDM4E (0.36) TMEM97SIGMAR1
SCHEMBL4487655 0.86 TMEM97 (0.45) TMEM97SIGMAR1ACHELTA4HBCHE
SCHEMBL4494974 0.86 TMEM97 (0.45) TMEM97SIGMAR1ACHELTA4HBCHE

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 916/4885ACHE 2967/4885

“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.