SCHEMBL4488877

SCHEMBL4488877

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.41
LSS P48449 1/20 0.41
NR1H4 Q96RI1 1/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
FFAR1 O14842 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F10 P00742 1/20 0.36
KLKB1 P03952 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4488882 1.00 ROCK2 (0.41) ROCK2LSSNR1H4CYP3A4MEN1
SCHEMBL4494458 0.93 NR1H4 (0.38) ROCK2NR1H4RXFP1
SCHEMBL4504451 0.93 NR1H4 (0.38) ROCK2NR1H4RXFP1
SCHEMBL4504213 0.93 TMEM97 (0.42) ROCK2LSSNR1H4MEN1FFAR1
SCHEMBL4504217 0.93 TMEM97 (0.42) ROCK2LSSNR1H4MEN1FFAR1
SCHEMBL227867 0.92 ROCK2 (0.40) ROCK2LSSCYP3A4FFAR1TMEM97
SCHEMBL4488420 0.92 HRH3 (0.38) NR1H4MEN1FFAR1TP53GLA
SCHEMBL4488427 0.92 HRH3 (0.38) NR1H4MEN1FFAR1TP53GLA
SCHEMBL227868 0.92 ROCK2 (0.40) ROCK2LSSCYP3A4FFAR1TMEM97
SCHEMBL4485272 0.91 LSS (0.43) LSSNR1H4MEN1KMT2AF10

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 ROCK2 392/4885LSS 2944/4885NR1H4 544/4885

“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.