SCHEMBL4502980

SCHEMBL4502980

COC(=O)Nc1ccc(/C(Nc2ccc(N(C)C(=O)CN(C)C)cc2)=C2/C(=O)Nc3cc(Cl)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
AHR P35869 1/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LRRK2 Q5S007 1/20 0.34
F11 P03951 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3B P49841 3/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL4502981 1.00 NPC1 (0.38) NPC1POLBAHRMAPTALDH1A1
SCHEMBL227305 0.94 KDR (0.37) NPC1POLBAHRMAPTALDH1A1
SCHEMBL227306 0.94 KDR (0.37) NPC1POLBAHRMAPTALDH1A1
SCHEMBL4506123 0.91 LRRK2 (0.43) NPC1POLBAHRMAPTALDH1A1
SCHEMBL4506126 0.91 LRRK2 (0.43) NPC1POLBAHRMAPTALDH1A1
SCHEMBL4500471 0.90 ALDH1A1 (0.37) NPC1POLBAHRMAPTALDH1A1
SCHEMBL4500472 0.90 ALDH1A1 (0.37) NPC1POLBAHRMAPTALDH1A1
SCHEMBL4500080 0.90 BACE1 (0.38) POLBMAPTALDH1A1GSK3BKDR
SCHEMBL4500075 0.90 BACE1 (0.38) POLBMAPTALDH1A1GSK3BKDR
SCHEMBL5856824 0.89 BACE1 (0.37) NPC1POLBAHRGAALRRK2

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 NPC1 3787/4885POLB 4146/4885AHR 598/4885

“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.