SCHEMBL4850663

SCHEMBL4850663

COC(=O)CCc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.42
PTPN1 P18031 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL7425083 0.86 ALDH1A1 (0.57) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL30201064 0.84 POLB (0.50) TSHRMAPTALDH1A1KMT2APOLB
SCHEMBL5416433 0.84 POLB (0.50) TSHRMAPTALDH1A1KMT2APOLB
SCHEMBL14565801 0.83 LMNA (0.52) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL1644381 0.83 ALDH1A1 (0.48) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL3949693 0.83 ALDH1A1 (0.58) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL8781834 0.82 LMNA (0.55) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL11164715 0.81 ALDH1A1 (0.47) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL22338991 0.81 ATM (0.45) LMNAMAPTALDH1A1KMT2ATDP1
SCHEMBL10666912 0.81 KMT2A (0.47) LMNATSHRMAPTALDH1A1KMT2A

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 5 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
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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 (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 LMNA 2735/4885TSHR 4139/4885MAPT 4057/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 LMNA 2659/4885TSHR 3893/4885MAPT 3753/4885

“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.