SCHEMBL4482028

SCHEMBL4482028

NCc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 1/20 0.37
NR1H4 Q96RI1 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
FFAR1 O14842 1/20 0.36
GLA P06280 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HPSE Q9Y251 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
GAA P10253 1/20 0.36
AKT2 P31751 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL4482025 1.00 BACE1 (0.42) BACE1ROCK2KDM4ENAMPTNR1H4
SCHEMBL4487921 0.92 BACE1 (0.40) BACE1ROCK2NR1H4MEN1KMT2A
SCHEMBL4487925 0.92 BACE1 (0.40) BACE1ROCK2NR1H4MEN1KMT2A
SCHEMBL226113 0.91 BACE1 (0.47) BACE1KDM4ENR1H4TP53FFAR1
SCHEMBL226114 0.91 BACE1 (0.47) BACE1KDM4ENR1H4TP53FFAR1
SCHEMBL228392 0.90 BACE1 (0.43) BACE1NAMPTNR1H4FFAR1HDAC3
SCHEMBL228391 0.90 BACE1 (0.43) BACE1NAMPTNR1H4FFAR1HDAC3
SCHEMBL4502433 0.90 BACE1 (0.45) BACE1NAMPTMEN1KMT2ATP53
SCHEMBL4502439 0.90 BACE1 (0.45) BACE1NAMPTMEN1KMT2ATP53
SCHEMBL4482547 0.89 BACE1 (0.41) BACE1KDM4ENR1H4MEN1KMT2A

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 2 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

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 BACE1 1615/4885ROCK2 392/4885KDM4E 1648/4885

“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.