SCHEMBL4043882

SCHEMBL4043882

O=c1cc(Cl)n(CC2CC2)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
CYP3A4 P08684 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
GRIN1 Q05586 10/20 0.40
GRIN2B Q13224 10/20 0.40
HPGD P15428 1/20 0.38
MAP3K11 Q16584 2/20 0.35
CRHR1 P34998 1/20 0.34
NOTUM Q6P988 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL6224523 0.87 ALDH1A1 (0.56) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL1945404 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL28663881 0.77 MEN1 (0.42) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL28650210 0.77 MEN1 (0.42) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL4041385 0.76 ALDH1A1 (0.65) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL9257137 0.74 KMT2A (0.51) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL24030653 0.73 GRIN1 (0.43) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL15038566 0.73 ALDH1A1 (0.38) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL10735070 0.72 KMT2A (0.85) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL24030203 0.72 FEN1 (0.49) ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection HETERO DRUGS LIMITED (IN) 2007-01-04 US disclosed
EP-1585748-B1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2006-12-27 EP disclosed
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) ASTRAZENECA AB (SE) 2006-11-09 US disclosed
EP-1664052-A1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2006-06-07 EP disclosed
EP-1585748-A1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION AstraZeneca AB (SE) 2005-10-19 EP disclosed
WO-2005016929-A1 FUSED HETEROCYLCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2005-02-24 WO disclosed
WO-2004056831-A1 PYRAZOLO [3,4-d] PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2004-07-08 WO 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-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection DPYD, TPMT, UMPS ALDH1A1 1865/4885CYP3A4 207/4885MEN1 4608/4885
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) GLUL, RIMKLA, GGH ALDH1A1 1068/4885CYP3A4 2539/4885MEN1 912/4885

“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.