Sugi Predict

Sugi Predict / Compounds / SCHEMBL4500446

SCHEMBL4500446

SCHEMBL4500446

CC(C)(N)c1cccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2cccc(CC(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 5/20 0.41
▸ KDR P35968 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPARG P37231 3/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ ANO1 Q5XXA6 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ HPSE Q9Y251 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NTRK1 P04629 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
SCHEMBL4504436 0.92 NR1H4 (0.40) NR1H4KDRCYP1A2CYP2C19PPARG
SCHEMBL4494454 0.90 NR1H4 (0.41) NR1H4CYP1A2CYP2C19PPARGPPARD
SCHEMBL4505422 0.88 KDR (0.42) KDRPOLBCTDSP1MEN1KMT2A
SCHEMBL228080 0.88 BACE1 (0.43) NR1H4KDRPPARGPPARDPPARA
SCHEMBL228081 0.88 BACE1 (0.43) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4492270 0.86 NR1H4 (0.38) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4492265 0.86 NR1H4 (0.38) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4500452 0.85 NR1H4 (0.38) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4500449 0.85 NR1H4 (0.38) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4487921 0.85 BACE1 (0.40) NR1H4KDRMEN1KMT2AHPSE

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 NR1H4 544/4885KDR 1/4885CYP1A2 505/4885

“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.