SCHEMBL3595568

SCHEMBL3595568

O=c1cc(CSc2ccc(F)cc2)[nH]c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYB5R3 P00387 2/20 0.51
CYP3A4 P08684 1/20 0.51
SOD1 P00441 2/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.46
GPR84 Q9NQS5 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
DAO P14920 6/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL14426636 0.84 SOD1 (0.69) ALDH1A1CYB5R3CYP3A4SOD1RAB9A
SCHEMBL14426633 0.84 ALDH1A1 (0.54) ALDH1A1CYB5R3CYP3A4SOD1RAB9A
SCHEMBL8347537 0.84 ALDH1A1 (0.51) ALDH1A1CYB5R3CYP3A4SOD1RAB9A
SCHEMBL14426638 0.83 ALDH1A1 (0.71) ALDH1A1CYB5R3CYP3A4SOD1RAB9A
SCHEMBL12297819 0.81 SOD1 (0.70) ALDH1A1CYB5R3CYP3A4SOD1MAOA
SCHEMBL14426646 0.70 ALDH1A1 (0.57) ALDH1A1CYB5R3CYP3A4RAB9AGPR84
SCHEMBL8054102 0.70 RAB9A (0.51) ALDH1A1CYB5R3CYP3A4RAB9AHSD17B10
SCHEMBL16231810 0.69 DAO (0.56) SOD1MAOAMAOBDAO
SCHEMBL14426632 0.68 ALDH1A1 (1.00) ALDH1A1CYB5R3CYP3A4RAB9AKMT2A
SCHEMBL4239245 0.68 MAOA (0.49) SOD1MAOAMAOBDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 ALDH1A1 2861/4885CYB5R3 3492/4885CYP3A4 1560/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR ALDH1A1 3243/4885CYB5R3 3966/4885CYP3A4 4605/4885

“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.