Sugi Predict

Sugi Predict / Compounds / SCHEMBL4493119

SCHEMBL4493119

SCHEMBL4493119

CC(C(N)=O)C(N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ KDR P35968 6/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL4491983 0.91 RXFP1 (0.38) RXFP1LRRK2CASP3KDRFLT4
SCHEMBL2117876 0.88 KMT2A (0.37) BACE1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL479349 0.88 KMT2A (0.37) BACE1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2121566 0.85 RXFP1 (0.44) RXFP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4480932 0.84 RXFP1 (0.36) RXFP1LRRK2CASP3KDRFLT4
SCHEMBL4507715 0.83 CES1 (0.46) RXFP1LRRK2CASP3KDRFLT4
SCHEMBL4507721 0.83 CES1 (0.46) RXFP1LRRK2CASP3KDRFLT4
SCHEMBL4495113 0.82 CES1 (0.36) RXFP1LRRK2CASP3KDRFLT4
SCHEMBL4496719 0.82 CES1 (0.47) RXFP1LRRK2KDRFLT4FLT3
SCHEMBL4496723 0.82 CES1 (0.47) RXFP1LRRK2KDRFLT4FLT3

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 RXFP1 425/4885LRRK2 168/4885CASP3 1148/4885

“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.