Sugi Predict

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SCHEMBL4481482

SCHEMBL4481482

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 2/20 0.35
▸ SHMT1 P34896 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NR1H4 Q96RI1 4/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ CPT1B Q92523 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
SCHEMBL223723 0.92 HSPH1 (0.35) SENP1SHMT1ALDH1A1NPC1MAPT
SCHEMBL4485965 0.91 NR1H4 (0.39) MAPTNR1H4KDM4ECPT1ACPT1B
SCHEMBL3531616 0.91 SENP1 (0.35) SENP1MAPTSMN1; SMN2NR1H4RXFP1
SCHEMBL4484183 0.90 NPC1 (0.40) SENP1ALDH1A1NPC1MAPTHPGD
SCHEMBL4484188 0.90 NPC1 (0.40) SENP1ALDH1A1NPC1MAPTHPGD
SCHEMBL4500469 0.90 LRRK2 (0.35) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL225971 0.89 SENP1 (0.36) SENP1ALDH1A1NPC1MAPTHPGD
SCHEMBL4488874 0.89 NR1H4 (0.40) SHMT1ALDH1A1MAPTNR1H4RXFP1
SCHEMBL4481484 0.88 SENP1 (0.36) SENP1ALDH1A1NPC1MAPTHPGD
SCHEMBL4481485 0.88 SENP1 (0.36) SENP1ALDH1A1NPC1MAPTHPGD

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 SENP1 3761/4885SHMT1 1686/4885ALDH1A1 2036/4885

“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.