SCHEMBL4852874

SCHEMBL4852874

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
EPAS1 Q99814 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KCNMA1 Q12791 4/20 0.39
ABL1 P00519 1/20 0.39
G6PD P11413 1/20 0.39
CRHBP P24387 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
SCHEMBL4851824 0.87 EPAS1 (0.54) TDP1PKMAKR1C3AKR1C2EPAS1
SCHEMBL4848966 0.83 G6PD (0.43) TDP1L3MBTL1ALDH1A1HTTKCNMA1
SCHEMBL4856890 0.83 ABL1 (0.51) MAPK1ALDH1A1HTTGLAABL1
SCHEMBL4855661 0.81 PKM (0.49) TDP1L3MBTL1PKMAKR1C3AKR1C2
SCHEMBL4847691 0.81 AKR1C3 (0.60) TDP1PKMAKR1C3AKR1C2MAPK1
SCHEMBL4856548 0.81 TDP1 (0.46) TDP1L3MBTL1PKMAKR1C3AKR1C2
SCHEMBL4858054 0.79 TDP1 (0.44) TDP1L3MBTL1PKMAKR1C3AKR1C2
SCHEMBL27629200 0.78 EPAS1 (0.45) TDP1L3MBTL1PKMAKR1C3AKR1C2
SCHEMBL4855711 0.78 PKM (0.46) TDP1L3MBTL1PKMAKR1C3AKR1C2
SCHEMBL9888489 0.78 AKR1C3 (0.60) TDP1L3MBTL1PKMAKR1C3AKR1C2

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 TDP1 1112/4885L3MBTL1 2937/4885PKM 503/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 TDP1 1384/4885L3MBTL1 3156/4885PKM 535/4885

“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.