SCHEMBL4505215

SCHEMBL4505215

CNCCN(C(C)=O)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
MCHR1 Q99705 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LRRK2 Q5S007 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
HPSE Q9Y251 1/20 0.31
KDR P35968 2/20 0.31
PLK1 P53350 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.30
CNR1 P21554 1/20 0.30
EGFR P00533 1/20 0.30
FLT4 P35916 1/20 0.30
FLT3 P36888 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL4505219 1.00 MCHR1 (0.33) MCHR1NR1H4RXFP1KDM4ELRRK2
SCHEMBL4497412 0.95 NR1H4 (0.32) NR1H4RXFP1KDM4ELRRK2MEN1
SCHEMBL4497409 0.95 NR1H4 (0.32) NR1H4RXFP1KDM4ELRRK2MEN1
SCHEMBL227048 0.93 FFAR1 (0.34) MCHR1RXFP1LRRK2MEN1KMT2A
SCHEMBL227049 0.93 FFAR1 (0.34) MCHR1RXFP1LRRK2MEN1KMT2A
SCHEMBL4499221 0.92 PLK1 (0.35) MCHR1NR1H4RXFP1KDM4ELRRK2
SCHEMBL4499224 0.92 PLK1 (0.35) MCHR1NR1H4RXFP1KDM4ELRRK2
SCHEMBL4492767 0.92 KDM4E (0.35) NR1H4KDM4ELRRK2MAPT
SCHEMBL4492761 0.92 KDM4E (0.35) NR1H4KDM4ELRRK2MAPT
SCHEMBL4489681 0.91 BACE1 (0.34) MCHR1NR1H4MEN1KMT2AFFAR1

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 MCHR1 666/4885NR1H4 544/4885RXFP1 425/4885

“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.