SCHEMBL4492066

SCHEMBL4492066

CN(c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GALR3 O60755 1/20 0.41
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BACE1 P56817 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
FLT4 P35916 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
SCHEMBL4492068 1.00 RAB9A (0.41) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL228491 0.92 RAB9A (0.44) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL228492 0.92 RAB9A (0.44) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4494106 0.91 PTGDR2 (0.36) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4494110 0.91 PTGDR2 (0.36) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4504007 0.90 MEN1 (0.41) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4504012 0.90 MEN1 (0.41) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL226774 0.90 BACE1 (0.35) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL226775 0.90 BACE1 (0.35) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL223610 0.89 ALDH1A1 (0.38) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A

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 RAB9A 1671/4885ALDH1A1 2036/4885SMN1; SMN2 4006/4885

“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.