SCHEMBL4856252

SCHEMBL4856252

COC(=O)CCc1ccc(Nc2cc(Cl)ccc2C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CCR9 P51686 2/20 0.41
G6PD P11413 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 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
SCHEMBL4855711 0.90 PKM (0.46) PKMTDP1MAPTL3MBTL1HPGD
SCHEMBL27629199 0.89 TDP1 (0.43) PKMTDP1MAPTL3MBTL1HPGD
SCHEMBL4856548 0.88 TDP1 (0.46) PKMTDP1MAPTL3MBTL1HPGD
SCHEMBL4858054 0.86 TDP1 (0.44) PKMTDP1MAPTL3MBTL1HPGD
SCHEMBL4855150 0.83 ABL1 (0.50) MAPTHPGDCCR9KMT2ALMNA
SCHEMBL4859721 0.82 SMN1; SMN2 (0.52) PKMTDP1MAPTL3MBTL1KMT2A
SCHEMBL4855806 0.81 TDP1 (0.46) PKMTDP1MAPTL3MBTL1HPGD
SCHEMBL4855661 0.81 PKM (0.49) PKMTDP1MAPTL3MBTL1CYP1A2
SCHEMBL4847691 0.81 AKR1C3 (0.60) PKMTDP1MAPTHPGDCYP1A2
SCHEMBL4850702 0.79 CYP2C19 (0.49) TDP1MAPTL3MBTL1CYP2C19KMT2A

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 6 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
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 PKM 503/4885TDP1 1112/4885MAPT 4057/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 PKM 535/4885TDP1 1384/4885MAPT 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.