SCHEMBL1945680

SCHEMBL1945680

CCCNC(=O)c1ccc(N2CCCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.55
ACKR3 P25106 4/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
ESR1 P03372 2/20 0.44
NPC1 O15118 1/20 0.44
JMJD7 P0C870 1/20 0.44
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
HTR2C P28335 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1945681 0.99 RXFP1 (0.57) RXFP1ACKR3KDM4EMAPTPOLB
SCHEMBL1946018 0.89 HDAC8 (0.46) RXFP1ACKR3KDM4EMAPTPOLB
SCHEMBL1946478 0.88 MEN1 (0.50) RXFP1ACKR3KDM4EMAPTPOLB
SCHEMBL6360616 0.77 GSK3B (0.53) RXFP1KDM4EMAPTPOLBHPGD
SCHEMBL7826262 0.75 ALDH1A1 (0.49) RXFP1KDM4EMAPTPOLBHPGD
SCHEMBL27547515 0.75 GAA (0.54) RXFP1KDM4EMAPTPOLBHPGD
SCHEMBL1949315 0.75 ACKR3 (0.76) RXFP1ACKR3KDM4EMAPTPOLB
SCHEMBL5227048 0.74 HDAC3 (0.50) RXFP1KDM4EMAPTHPGDGAA
SCHEMBL1587164 0.73 KDM4E (0.51) RXFP1KDM4EMAPTPOLBHPGD
SCHEMBL12124267 0.73 POLB (0.65) RXFP1KDM4EMAPTPOLBHPGD

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 RXFP1 4839/4885ACKR3 3794/4885KDM4E 1908/4885

“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.