SCHEMBL2993653

SCHEMBL2993653

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.42
MAPT P10636 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
CISD1 Q9NZ45 1/20 0.40
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
CREBBP Q92793 1/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 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
SCHEMBL5049846 1.00 GAA (0.44) GAAMEN1KMT2AKDM4EATM
SCHEMBL4586095 0.90 MAPT (0.44) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL2984471 0.90 MAPT (0.44) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL2993014 0.90 MAPT (0.45) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL5049986 0.90 MAPT (0.45) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL4586069 0.89 CISD1 (0.40) MEN1KMT2AKDM4EMAPTCISD1
SCHEMBL4586074 0.89 CISD1 (0.40) MEN1KMT2AKDM4EMAPTCISD1
SCHEMBL5054187 0.85 MEN1 (0.58) GAAMEN1KMT2AMAPTLMNA
SCHEMBL2993867 0.85 MEN1 (0.58) GAAMEN1KMT2AMAPTLMNA
SCHEMBL5052448 0.85 MAPT (0.51) GAAMEN1KMT2AKDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 GAA 244/4885MEN1 3889/4885KMT2A 3294/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 GAA 139/4885MEN1 37/4885KMT2A 2272/4885

“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.