SCHEMBL1948153

SCHEMBL1948153

CCCNC(=O)c1ccc(-n2c(C)nc3ccccc32)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
HPGD P15428 4/20 0.53
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ESR1 P03372 1/20 0.53
JMJD7 P0C870 1/20 0.53
STAT3 P40763 1/20 0.53
STAT1 P42224 1/20 0.53
RAB9A P51151 1/20 0.53
HTR2C P28335 1/20 0.49
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL12542863 0.91 DHODH (0.57) DHODHHPGDNPC1KDM4EMAPT
SCHEMBL12543547 0.85 CYP2D6 (0.52) DHODHHPGDNPC1KDM4EMAPT
SCHEMBL12542784 0.85 KMT2A (0.58) DHODHHPGDNPC1KDM4EMAPT
SCHEMBL12543452 0.82 DHODH (0.72) DHODHHPGDNPC1KDM4EMAPT
SCHEMBL1946095 0.81 MAPT (0.57) DHODHHPGDNPC1KDM4EMAPT
SCHEMBL1945683 0.81 HPGD (0.51) DHODHHPGDNPC1KDM4EMAPT
SCHEMBL12542928 0.81 DHODH (0.64) DHODHHPGDNPC1KDM4EMAPT
SCHEMBL12541420 0.80 MAPK1 (0.53) DHODHMAPTKMT2ACYP2D6KCNH2
SCHEMBL12543487 0.80 DHODH (0.76) DHODHHPGDNPC1GAASMN1; SMN2
SCHEMBL1948468 0.78 HTR2C (0.77) DHODHHPGDNPC1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 US disclosed
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 US disclosed
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 US disclosed
WO-2009137081-A2 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-12 WO disclosed
WO-2009137081-A2 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-12 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 (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-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, MDH1 DHODH 1/4885HPGD 105/4885NPC1 2139/4885

“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.