Sugi Predict

Sugi Predict / Compounds / SCHEMBL4494324

SCHEMBL4494324

SCHEMBL4494324

CNCc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.39
▸ FFAR1 O14842 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ NR1H4 Q96RI1 2/20 0.36
▸ HPSE Q9Y251 1/20 0.35
▸ TGM2 P21980 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ AGBL2 Q5U5Z8 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ AURKC Q9UQB9 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ NPC1 O15118 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
SCHEMBL4494331 1.00 BACE1 (0.39) BACE1FFAR1MEN1KMT2ATP53
SCHEMBL4492265 0.93 NR1H4 (0.38) BACE1MEN1KMT2ANR1H4HPSE
SCHEMBL4492270 0.93 NR1H4 (0.38) BACE1MEN1KMT2ANR1H4HPSE
SCHEMBL4505932 0.91 BACE1 (0.38) BACE1FFAR1MEN1KMT2ATP53
SCHEMBL4505939 0.91 BACE1 (0.38) BACE1FFAR1MEN1KMT2ATP53
SCHEMBL228486 0.91 FFAR1 (0.42) BACE1FFAR1KDRFLT3AURKA
SCHEMBL228487 0.91 FFAR1 (0.42) BACE1FFAR1KDRFLT3AURKA
SCHEMBL4482547 0.91 BACE1 (0.41) BACE1FFAR1MEN1KMT2ATP53
SCHEMBL4482552 0.91 BACE1 (0.41) BACE1FFAR1MEN1KMT2ATP53
SCHEMBL4487925 0.90 BACE1 (0.40) BACE1FFAR1MEN1KMT2ATP53

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 1615/4885FFAR1 778/4885MEN1 1288/4885

“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.