SCHEMBL4853225

SCHEMBL4853225

COC(=O)c1ccc(Cl)cc1Nc1ccc(OCc2ccccc2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 2/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ MAOB P27338 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOA P21397 3/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 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
SCHEMBL4856681 0.84 AKR1C3 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4855887 0.83 ABL1 (0.57) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL6354940 0.82 MAOB (0.58) LNPEPABL1MAOBALDH1A1NPC1
SCHEMBL4855385 0.80 ABL1 (0.56) ABL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4853821 0.79 ABL1 (0.61) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL27568225 0.79 CTSV (0.58) MAOBALDH1A1NPC1RAB9AMEN1
SCHEMBL4854740 0.78 ABL1 (0.60) ABL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL7911112 0.78 MAOB (0.57) MAOBALDH1A1NPC1RAB9AMEN1
SCHEMBL7910948 0.78 MAOB (0.57) MAOBALDH1A1NPC1RAB9AMEN1
SCHEMBL8390211 0.78 CTSV (0.66) MAOBMEN1KMT2A

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 LNPEP 4649/4885ABL1 45/4885MAOB 1870/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 LNPEP 4411/4885ABL1 32/4885MAOB 1614/4885

“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.

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