SCHEMBL4564362

SCHEMBL4564362

COC(=O)CCc1nc(-c2ccccc2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.68
ALDH1A1 P00352 5/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 2/20 0.62
ATM Q13315 1/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
USP2 O75604 1/20 0.57
MITF O75030 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL563342 0.92 ALDH1A1 (0.73) HPGDALDH1A1GAALMNAATM
SCHEMBL6333033 0.88 LMNA (0.61) HPGDALDH1A1LMNAATMCYP1A2
SCHEMBL6326392 0.86 MAPK1 (0.54) HPGDALDH1A1GAALMNAATM
SCHEMBL3756027 0.86 ALDH1A1 (0.58) HPGDALDH1A1GAAHDAC1HDAC2
SCHEMBL6325140 0.85 LMNA (0.58) HPGDALDH1A1LMNAATMCYP1A2
SCHEMBL6323754 0.85 HTT (0.67) HPGDALDH1A1GAALMNAATM
SCHEMBL6326028 0.84 LMNA (0.57) HPGDALDH1A1LMNAATMCYP1A2
SCHEMBL11983369 0.84 ALDH1A1 (0.69) HPGDALDH1A1GAALMNAATM
SCHEMBL6334541 0.84 KMT2A (0.55) HPGDLMNAATMCYP1A2CYP2C19
SCHEMBL5330405 0.84 ALDH1A1 (0.83) HPGDALDH1A1GAALMNAATM

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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (1 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 HPGD 307/4885ALDH1A1 422/4885GAA 159/4885

“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.