Sugi Predict

Sugi Predict / Compounds / SCHEMBL4502977

SCHEMBL4502977

SCHEMBL4502977

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ F11 P03951 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ AGPAT2 O15120 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL227304 0.94 KDR (0.36) NPC1POLBAHRNOTUMLRRK2
SCHEMBL4506120 0.91 LRRK2 (0.42) NPC1POLBAHRMAPTALDH1A1
SCHEMBL4500469 0.91 LRRK2 (0.35) NPC1POLBAHRMAPTALDH1A1
SCHEMBL4500074 0.90 BACE1 (0.38) NOTUMMAPTGSK3BCA12CA2
SCHEMBL5856822 0.89 BACE1 (0.36) NPC1POLBAHRLRRK2KDR
SCHEMBL3943046 0.88 NPC1 (0.33) NPC1POLBAHRNOTUMLRRK2
SCHEMBL4476546 0.88 CASP3 (0.37) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL4485965 0.88 NR1H4 (0.39) MAPT
SCHEMBL4496688 0.88 KMT2A (0.38) NPC1F11MAPTALDH1A1MEN1
SCHEMBL226534 0.86 NR1H4 (0.38) PLK1

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 NPC1 3787/4885POLB 4146/4885AHR 598/4885

“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.