SCHEMBL1948468

SCHEMBL1948468

CCCNC(=O)c1ccc(-n2ccc3ccccc32)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.77
ACKR3 P25106 1/20 0.62
RXFP1 Q9HBX9 11/20 0.53
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GFER P55789 1/20 0.50
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ESR1 P03372 1/20 0.47
JMJD7 P0C870 1/20 0.47
GAA P10253 1/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
DHODH Q02127 1/20 0.45
THRB P10828 1/20 0.43

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
SCHEMBL12542144 0.85 HTR2C (0.57) HTR2CACKR3RXFP1MAPTKDM4E
SCHEMBL1946095 0.81 MAPT (0.57) HTR2CACKR3RXFP1MAPTKDM4E
SCHEMBL1945683 0.79 HPGD (0.51) HTR2CACKR3MAPTKDM4EHPGD
SCHEMBL1948153 0.78 DHODH (0.58) HTR2CRXFP1MAPTKDM4EHPGD
SCHEMBL1948464 0.72 KDM4E (0.46) HTR2CACKR3RXFP1MAPTKDM4E
SCHEMBL12542531 0.72 ASAH1 (0.51) HTR2CACKR3MAPTKDM4EHPGD
SCHEMBL13636993 0.71 HTR2C (0.43) HTR2CACKR3RXFP1MAPTKDM4E
SCHEMBL1945680 0.71 RXFP1 (0.55) HTR2CACKR3RXFP1MAPTKDM4E
SCHEMBL1945681 0.70 RXFP1 (0.57) HTR2CACKR3RXFP1MAPTKDM4E
SCHEMBL1944624 0.70 NAMPT (0.51) HTR2CACKR3MAPTKDM4EHPGD

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 HTR2C 4298/4885ACKR3 3794/4885RXFP1 4839/4885

“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.