SCHEMBL4850812

SCHEMBL4850812

COC(=O)c1ccc(Cl)cc1Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.56
ALDH1A1 P00352 8/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 4/20 0.54
SIRT6 Q8N6T7 1/20 0.53
CYP3A4 P08684 1/20 0.52
MEN1 O00255 2/20 0.49
HTT P42858 3/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
HTR6 P50406 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4849824 0.83 ABL1 (0.49) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1291085 0.81 LMNA (0.50) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL44878 0.80 SIRT6 (0.79) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4854996 0.80 TDP1 (0.49) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL20509684 0.79 SIRT6 (0.81) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4744340 0.78 ALDH1A1 (0.61) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4858898 0.76 TDP1 (0.51) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL4855806 0.76 TDP1 (0.46) MAPTALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL4859717 0.76 G6PD (0.49) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL4857413 0.74 TDP1 (0.45) MAPTALDH1A1HPGDKMT2AMEN1

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
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
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 MAPT 4057/4885ALDH1A1 2391/4885CYP1A2 2785/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 MAPT 3753/4885ALDH1A1 3257/4885CYP1A2 3589/4885

“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.