SCHEMBL1948464

SCHEMBL1948464

CCCNC(=O)c1ccc(-n2cccn2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
ESR1 P03372 1/20 0.46
JMJD7 P0C870 1/20 0.46
GAA P10253 1/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
NAMPT P43490 1/20 0.40
ACKR3 P25106 1/20 0.40
BRD4 O60885 1/20 0.39
TXK P42681 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL17065282 0.77 LMNA (0.46) KDM4EMAPTHPGDPOLBGAA
SCHEMBL1944624 0.77 NAMPT (0.51) KDM4EMAPTHPGDPOLBNPC1
SCHEMBL23459990 0.75 GCGR (0.60) KDM4EMAPTGAARAB9ASMN1; SMN2
SCHEMBL1945680 0.73 RXFP1 (0.55) KDM4EMAPTHPGDPOLBNPC1
SCHEMBL1948468 0.72 HTR2C (0.77) KDM4EMAPTHPGDPOLBNPC1
SCHEMBL11131345 0.72 LMNA (0.38) HPGDPOLBESR1GAARAB9A
SCHEMBL1945681 0.72 RXFP1 (0.57) KDM4EMAPTHPGDPOLBNPC1
SCHEMBL1946018 0.71 HDAC8 (0.46) KDM4EMAPTHPGDPOLBNPC1
SCHEMBL11133927 0.71 STING1 (0.40)
SCHEMBL27547515 0.71 GAA (0.54) KDM4EMAPTHPGDPOLBNPC1

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

“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.