SCHEMBL4493439

SCHEMBL4493439

O=C(O)CCc1ccc(C(Nc2ccc(CN3CCCCC3)cc2)=C2C(=O)Nc3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.49
CHRM1 P11229 3/20 0.49
HTR2A P28223 3/20 0.49
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.42
TNF P01375 1/20 0.41
F10 P00742 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4493434 1.00 MCHR1 (0.49) MCHR1CHRM1HTR2ALMNAACHE
SCHEMBL226392 0.99 MCHR1 (0.48) MCHR1CHRM1HTR2ALMNAACHE
SCHEMBL226393 0.99 MCHR1 (0.48) MCHR1CHRM1HTR2ALMNAACHE
SCHEMBL228383 0.97 MCHR1 (0.46) MCHR1CHRM1HTR2ALMNAACHE
SCHEMBL228384 0.97 MCHR1 (0.46) MCHR1CHRM1HTR2ALMNAACHE
SCHEMBL227969 0.92 SLC2A1 (0.46) MCHR1CHRM1HTR2ALMNAF10
SCHEMBL227970 0.92 SLC2A1 (0.46) MCHR1CHRM1HTR2ALMNAF10
SCHEMBL4498026 0.92 RAB9A (0.44) MCHR1CHRM1HTR2ALMNAACHE
SCHEMBL4498030 0.92 RAB9A (0.44) MCHR1CHRM1HTR2ALMNAACHE
SCHEMBL225361 0.92 NPC1 (0.50) LMNAF10HTTRAB9AKDM4E

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 MCHR1 666/4885CHRM1 232/4885HTR2A 408/4885

“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.