SCHEMBL1945683

SCHEMBL1945683

CCCNC(=O)c1ccc(-n2cnc3ccccc32)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
ESR1 P03372 1/20 0.51
JMJD7 P0C870 1/20 0.51
GAA P10253 1/20 0.51
STAT3 P40763 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR2C P28335 1/20 0.50
DHODH Q02127 5/20 0.48
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.48
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ASAH1 Q13510 1/20 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
SCHEMBL12542531 0.93 ASAH1 (0.51) HPGDKDM4EMAPTPOLBNPC1
SCHEMBL12542665 0.91 MKNK2 (0.49) MAPTRAB9AHTR2CDHODHASAH1
SCHEMBL12543437 0.89 HTR2C (0.48) HTR2CDHODHALDH1A1PLK1NEK2
SCHEMBL12543240 0.84 DHODH (0.50) HPGDKDM4EMAPTPOLBNPC1
SCHEMBL12542951 0.84 DHODH (0.48) HPGDKDM4EMAPTNPC1RAB9A
SCHEMBL12542788 0.82 POLB (0.47) POLBDHODHMEN1KMT2APLK1
SCHEMBL12543085 0.82 POLB (0.47) POLBDHODHMEN1KMT2APLK1
SCHEMBL12542542 0.81 PLK1 (0.51) MAPTRAB9ADHODHPLK1NEK2
SCHEMBL1948153 0.81 DHODH (0.58) HPGDKDM4EMAPTPOLBNPC1
SCHEMBL12542421 0.80 DHODH (0.71) HPGDKDM4EMAPTNPC1RAB9A

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 7 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

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 HPGD 105/4885KDM4E 1908/4885MAPT 2356/4885

“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.