SCHEMBL4854941

SCHEMBL4854941

COC(=O)C(C)(C)c1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL4857830 0.89 ALDH1A1 (0.49) NPSR1TDP1TSHRALDH1A1POLB
SCHEMBL15456899 0.83 CHEK1 (0.49) NPSR1TDP1TSHRALDH1A1POLB
SCHEMBL4856254 0.83 NPSR1 (0.47) NPSR1TDP1ALDH1A1POLBCNR1
SCHEMBL7652330 0.82 SIRT6 (0.50) NPSR1TDP1ALDH1A1POLBMAPT
SCHEMBL18562538 0.82 NPSR1 (0.46) NPSR1ALDH1A1POLBMAPTCNR1
SCHEMBL6981667 0.80 KMT2A (0.51) NPSR1TDP1TSHRALDH1A1POLB
SCHEMBL20302045 0.80 NPSR1 (0.47) NPSR1ALDH1A1POLBMAPTLMNA
SCHEMBL732303 0.80 THRB (0.49) NPSR1ALDH1A1POLBMAPTLMNA
SCHEMBL6297719 0.78 TDP1 (0.58) TDP1TSHRALDH1A1POLBMAPT
SCHEMBL730020 0.77 CNR1 (0.52) TDP1TSHRALDH1A1POLBMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 NPSR1 3952/4885TDP1 1112/4885TSHR 4139/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 NPSR1 4065/4885TDP1 1384/4885TSHR 3893/4885

“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.