SCHEMBL4491694

SCHEMBL4491694

O=C1Nc2cc(Cl)ccc2C1=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
CHRM1 P11229 2/20 0.43
HTR2A P28223 2/20 0.43
MCHR1 Q99705 2/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
FAAH O00519 1/20 0.42
ATM Q13315 1/20 0.42
TNIK Q9UKE5 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACP1 P24666 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL4491690 1.00 GAA (0.45) GAAHTTRAB9ALMNACHRM1
SCHEMBL4490016 0.99 GAA (0.47) GAAHTTRAB9ALMNACHRM1
SCHEMBL4490014 0.99 GAA (0.47) GAAHTTRAB9ALMNACHRM1
SCHEMBL4490221 0.99 GAA (0.47) GAAHTTRAB9ALMNACHRM1
SCHEMBL4490218 0.99 GAA (0.47) GAAHTTRAB9ALMNACHRM1
SCHEMBL4498857 0.93 SLC2A1 (0.49) GAAHTTRAB9ALMNASMN1; SMN2
SCHEMBL4498860 0.93 SLC2A1 (0.49) GAAHTTRAB9ALMNASMN1; SMN2
SCHEMBL6321821 0.92 GAA (0.48) GAAHTTRAB9ALMNACHRM1
SCHEMBL6321824 0.92 GAA (0.48) GAAHTTRAB9ALMNACHRM1
SCHEMBL4507453 0.92 RAB9A (0.50) HTTRAB9ALMNASMN1; SMN2KDM4E

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 GAA 4394/4885HTT 3112/4885RAB9A 1671/4885

“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.