SCHEMBL4857424

SCHEMBL4857424

CC(C)(C)OC(=O)Nc1ccc(CO)cc1Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.41
DNM2 P50570 1/20 0.41
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
GRIK1 P39086 4/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SERPINE1 P05121 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL4856200 0.92 ATR (0.42) MEN1KMT2AALDH1A1
SCHEMBL6113658 0.83 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17369609 0.80 KCNQ4 (0.51)
SCHEMBL29259910 0.78 KDM4E (0.63) MEN1KMT2AKDM4EALDH1A1AKR1C3
SCHEMBL3787046 0.77 KMT2A (0.54) MEN1KMT2A
SCHEMBL4854787 0.76 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4848906 0.76 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1291098 0.75 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1196841 0.74 GAA (0.44) MEN1KMT2AALDH1A1RAB9AUSP2
SCHEMBL22411865 0.74 KCNQ4 (0.46) ALDH1A1RAB9A

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 MEN1 1677/4885KMT2A 1398/4885KDM4E 1309/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 MEN1 2238/4885KMT2A 1376/4885KDM4E 1406/4885

“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.