SCHEMBL4491348

SCHEMBL4491348

CN(C)CCN(C(=O)c1ccccc1)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ADRB2 P07550 1/20 0.36
HPGD P15428 1/20 0.36
PTGIR P43119 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MCHR1 Q99705 2/20 0.34
TP53 P04637 1/20 0.34
PLK1 P53350 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
SCHEMBL4491350 1.00 LIMK1 (0.37) LIMK1ALDH1A1ADRB2HPGDPTGIR
SCHEMBL4492743 0.95 BACE1 (0.37) LIMK1ALDH1A1ADRB2HPGDPTGIR
SCHEMBL4492745 0.95 BACE1 (0.37) LIMK1ALDH1A1ADRB2HPGDPTGIR
SCHEMBL4491548 0.93 LIMK1 (0.37) LIMK1ALDH1A1RXFP1UTS2RLRRK2
SCHEMBL4491553 0.93 LIMK1 (0.37) LIMK1ALDH1A1RXFP1UTS2RLRRK2
SCHEMBL4493504 0.92 TGM2 (0.44) LIMK1ALDH1A1HPGDKDM4EPLK1
SCHEMBL4493501 0.92 TGM2 (0.44) LIMK1ALDH1A1HPGDKDM4EPLK1
SCHEMBL4488268 0.92 KDM4E (0.36) LIMK1ALDH1A1HPGDRXFP1UTS2R
SCHEMBL4488264 0.92 KDM4E (0.36) LIMK1ALDH1A1HPGDRXFP1UTS2R
SCHEMBL4496690 0.91 LIMK1 (0.36) LIMK1ALDH1A1RXFP1UTS2RLRRK2

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 LIMK1 312/4885ALDH1A1 2036/4885ADRB2 240/4885

“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.