SCHEMBL4496573

SCHEMBL4496573

COc1ccc(C(=O)N(CCN(C)C)c2ccc(N)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
ELANE P08246 1/20 0.46
RAD52 P43351 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
BLM P54132 1/20 0.45
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL3143717 0.79 MEN1 (0.49) RAD52CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8725847 0.77 ADRA2C (0.55) CYP3A4CYP2C9TSHRCYP2C19PHLPP2
SCHEMBL3152403 0.77 ADRA2C (0.55) CYP3A4CYP2C9TSHRCYP2C19PHLPP2
SCHEMBL10512299 0.77 KMT2A (0.43) CYP2C9MAPT
SCHEMBL4483065 0.75 MLYCD (0.46) BCHEACHECYP1A2CYP3A4CYP2C19
SCHEMBL7327014 0.74 KCNH2 (0.76) CYP1A2BLMCYP3A4KCNH2MAPT
Hydrochloric Acid SCHEMBL9113987 0.74 KCNH2 (0.75) CYP1A2BLMCYP3A4KCNH2MAPT
SCHEMBL4823451 0.72 CYP1A2 (0.79) BCHEACHECYP1A2CA1CA2
SCHEMBL3142097 0.72 PHLPP2 (0.46) ACHERAD52CYP1A2BLMCYP3A4
SCHEMBL8500772 0.72 CYP1A2 (0.79) BCHEACHECYP1A2CA1CA2

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 BCHE 4203/4885ACHE 2967/4885ELANE 4001/4885

“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.