SCHEMBL4500074

SCHEMBL4500074

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
NOTUM Q6P988 1/20 0.37
BRD4 O60885 2/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.34
MAPT P10636 2/20 0.33
TGM2 P21980 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GSK3B P49841 5/20 0.33
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.31
AURKB Q96GD4 2/20 0.31
FLT3 P36888 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL4488531 0.91 BACE1 (0.41) BACE1NOTUMBRD4PDGFRBKDR
SCHEMBL4502977 0.90 NPC1 (0.37) NOTUMKDRMAPTGSK3BCA12
SCHEMBL226699 0.90 SMN1; SMN2 (0.38) BACE1NOTUMBRD4PDGFRBMAPT
SCHEMBL224414 0.88 BACE1 (0.36) BACE1NOTUMBRD4PDGFRBKDR
SCHEMBL225790 0.88 NR1H4 (0.39) BACE1NOTUMBRD4PDGFRBMAPT
SCHEMBL4497096 0.87 BACE1 (0.41) BACE1BRD4KDRMAPTTGM2
SCHEMBL228298 0.86 NR1H4 (0.38) BACE1BRD4PDGFRBMAPTTGM2
SCHEMBL4500075 0.85 BACE1 (0.38) BACE1BRD4PDGFRBKDRMAPT
SCHEMBL4500080 0.85 BACE1 (0.38) BACE1BRD4PDGFRBKDRMAPT
SCHEMBL3940647 0.85 BACE1 (0.35) BACE1NOTUMBRD4PDGFRBKDR

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 BACE1 1615/4885NOTUM 4280/4885BRD4 2704/4885

“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.