SCHEMBL4856548

SCHEMBL4856548

COC(=O)c1ccc(Cl)cc1Nc1ccc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
G6PD P11413 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL4858054 0.91 TDP1 (0.44) TDP1PKMMAPTHPGDL3MBTL1
SCHEMBL4855711 0.90 PKM (0.46) TDP1PKMMAPTHPGDL3MBTL1
SCHEMBL27629199 0.89 TDP1 (0.43) TDP1PKMMAPTHPGDL3MBTL1
SCHEMBL4856252 0.88 PKM (0.44) TDP1PKMMAPTHPGDL3MBTL1
SCHEMBL4847691 0.85 AKR1C3 (0.60) TDP1PKMMAPTHPGDCYP1A2
SCHEMBL4855661 0.85 PKM (0.49) TDP1PKMMAPTL3MBTL1CYP1A2
SCHEMBL4859721 0.84 SMN1; SMN2 (0.52) TDP1PKMMAPTL3MBTL1KMT2A
SCHEMBL27629200 0.84 EPAS1 (0.45) TDP1PKMMAPTHPGDL3MBTL1
SCHEMBL4850702 0.83 CYP2C19 (0.49) TDP1MAPTL3MBTL1CYP2C19KMT2A
SCHEMBL4851824 0.82 EPAS1 (0.54) TDP1PKMMAPTKMT2ASMN1; SMN2

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 TDP1 1112/4885PKM 503/4885MAPT 4057/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 TDP1 1384/4885PKM 535/4885MAPT 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.