SCHEMBL4491402

SCHEMBL4491402

CN(C)CCN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
LTA4H P09960 3/20 0.38
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL4491404 1.00 TMEM97 (0.39) TMEM97SIGMAR1LTA4HBCHEACHE
SCHEMBL4491081 0.91 ROCK2 (0.37) TMEM97SIGMAR1BCHEACHEALDH1A1
SCHEMBL4491083 0.91 ROCK2 (0.37) TMEM97SIGMAR1BCHEACHEALDH1A1
SCHEMBL4487652 0.90 TMEM97 (0.45) TMEM97SIGMAR1LTA4HBCHEACHE
SCHEMBL4492313 0.90 BACE1 (0.40) TMEM97SIGMAR1LTA4HBCHEACHE
SCHEMBL4492319 0.90 BACE1 (0.40) TMEM97SIGMAR1LTA4HBCHEACHE
SCHEMBL4487655 0.90 TMEM97 (0.45) TMEM97SIGMAR1LTA4HBCHEACHE
SCHEMBL227017 0.90 NR1H4 (0.36) TMEM97SIGMAR1LTA4HBCHEACHE
SCHEMBL227016 0.90 NR1H4 (0.36) TMEM97SIGMAR1LTA4HBCHEACHE
SCHEMBL225554 0.89 TMEM97 (0.38) TMEM97SIGMAR1LTA4HBCHEACHE

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 916/4885LTA4H 3908/4885

“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.