SCHEMBL4485914

SCHEMBL4485914

NCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
KLKB1 P03952 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
F10 P00742 1/20 0.37
CPT1A P50416 2/20 0.37
CPT1B Q92523 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MDM2 Q00987 1/20 0.36
CES1 P23141 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
SCHEMBL4485917 1.00 KDM4E (0.42) KDM4EMAPTKLKB1NR1H4F10
SCHEMBL4487853 0.92 NR1H4 (0.40) KDM4EMAPTKLKB1NR1H4MEN1
SCHEMBL4487849 0.92 NR1H4 (0.40) KDM4EMAPTKLKB1NR1H4MEN1
SCHEMBL226732 0.90 FFAR1 (0.40) KDM4EMAPTKLKB1NR1H4F10
SCHEMBL226731 0.90 FFAR1 (0.40) KDM4EMAPTKLKB1NR1H4F10
SCHEMBL4485266 0.90 NR1H4 (0.45) KDM4EMAPTNR1H4CPT1ACPT1B
SCHEMBL4500501 0.89 KDM4E (0.41) KDM4EMAPTNR1H4F10CPT1A
SCHEMBL4500507 0.89 KDM4E (0.41) KDM4EMAPTNR1H4F10CPT1A
SCHEMBL4482028 0.88 BACE1 (0.42) KDM4EMAPTNR1H4MEN1KMT2A
SCHEMBL4482025 0.88 BACE1 (0.42) KDM4EMAPTNR1H4MEN1KMT2A

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 KDM4E 1648/4885MAPT 545/4885KLKB1 2581/4885

“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.