Sugi Predict

Sugi Predict / Compounds / SCHEMBL4493512

SCHEMBL4493512

SCHEMBL4493512

CN(C)CCCc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ FLT3 P36888 1/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ SRC P12931 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ SIRT1 Q96EB6 3/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ CYP26B1 Q9NR63 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL4493517 1.00 BACE1 (0.40) BACE1FLT3NAMPTHRH3SRC
SCHEMBL227965 0.95 BACE1 (0.41) BACE1FLT3HRH3SRCCYP26A1
SCHEMBL227964 0.95 BACE1 (0.41) BACE1FLT3HRH3SRCCYP26A1
SCHEMBL225728 0.93 BACE1 (0.40) BACE1FLT3NAMPTHRH3SRC
SCHEMBL225727 0.93 BACE1 (0.40) BACE1FLT3NAMPTHRH3SRC
SCHEMBL4483345 0.92 BACE1 (0.38) BACE1FLT3HRH3SRCLPAR1
SCHEMBL4500851 0.92 LPAR1 (0.39) BACE1FLT3LPAR1NR1H4MAPK1
SCHEMBL4500854 0.92 LPAR1 (0.39) BACE1FLT3LPAR1NR1H4MAPK1
SCHEMBL4483342 0.92 BACE1 (0.38) BACE1FLT3HRH3SRCLPAR1
SCHEMBL228505 0.91 BACE1 (0.35) BACE1FLT3NAMPTCYP26A1CYP26B1

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 1615/4885FLT3 34/4885NAMPT 3483/4885

“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.