Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487240

SCHEMBL4487240

SCHEMBL4487240

CC(=O)N(CCN(C)Cc1ccccc1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ ACHE P22303 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ LTA4H P09960 4/20 0.34
▸ PDK1 Q15118 2/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL4497169 0.92 BACE1 (0.37) BACE1NAMPTTMEM97SIGMAR1ACKR3
SCHEMBL6182458 0.91 BACE1 (0.41) BACE1ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL4494303 0.91 BACE1 (0.41) BACE1ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL4494308 0.91 BACE1 (0.41) BACE1ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL4485067 0.90 TMEM97 (0.44) TMEM97SIGMAR1ACHEBCHELTA4H
SCHEMBL4499092 0.88 BACE1 (0.39) BACE1NAMPTACHEKDM4EMAPT
SCHEMBL4499093 0.88 BACE1 (0.39) BACE1NAMPTACHEKDM4EMAPT
SCHEMBL4492313 0.87 BACE1 (0.40) BACE1NAMPTTMEM97SIGMAR1ACKR3
SCHEMBL4492319 0.87 BACE1 (0.40) BACE1NAMPTTMEM97SIGMAR1ACKR3
SCHEMBL4493087 0.87 ACHE (0.43) BACE1NAMPTACHEBCHE

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 1615/4885NAMPT 3483/4885TMEM97 2293/4885

“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.