SCHEMBL4858898

SCHEMBL4858898

CCOc1ccc([N+](=O)[O-])c(Nc2cc(Cl)ccc2C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 8/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PSMD14 O00487 1/20 0.48
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
ALPG P10696 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43

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
SCHEMBL1291085 0.83 LMNA (0.50) TDP1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4854996 0.82 TDP1 (0.49) TDP1MAPTLMNAKMT2AMEN1
SCHEMBL4855806 0.81 TDP1 (0.46) TDP1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4847691 0.80 AKR1C3 (0.60) TDP1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8133342 0.80 MEN1 (0.53) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4932353 0.79 MEN1 (0.60) TDP1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4856681 0.79 AKR1C3 (0.51) TDP1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4859717 0.78 G6PD (0.49) TDP1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4856548 0.77 TDP1 (0.46) TDP1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4850812 0.76 MAPT (0.56) MAPTLMNASMN1; SMN2KMT2AMEN1

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 1112/4885MAPT 4057/4885LMNA 2735/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 TDP1 1384/4885MAPT 3753/4885LMNA 2659/4885

“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.