SCHEMBL1948459

SCHEMBL1948459

Cc1nc2ccccc2n1-c1cscc1C(=O)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ TSHR P16473 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 2/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDE4B Q07343 1/20 0.40

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
SCHEMBL12543452 0.79 DHODH (0.72) DHODHHRH3CYP2D6KCNH2RAB9A
SCHEMBL1945699 0.77 HRH3 (0.52) DHODHHRH3CYP2D6KCNH2TP53
SCHEMBL3726718 0.72 HRH3 (0.53) HRH3TP53PDE4B
SCHEMBL12543233 0.70 DHODH (0.85) DHODHTSHRCYP2D6KCNH2RAB9A
SCHEMBL12543505 0.69 DHODH (0.72) DHODHCYP2D6KCNH2RAB9ATP53
SCHEMBL12543057 0.67 TP53 (0.66) DHODHKCNH2RAB9ATP53
SCHEMBL12543821 0.67 CYP2D6 (0.68) DHODHCYP2D6KCNH2RAB9ATP53
SCHEMBL19486460 0.67 TSHR (0.82) TSHRRAB9ATP53MAPK1LMNA
SCHEMBL12543147 0.67 CYP2D6 (0.59) DHODHCYP2D6KCNH2RAB9ATP53
SCHEMBL12543861 0.67 CYP2D6 (0.67) DHODHCYP2D6KCNH2RAB9ATP53

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 DHODH 1/4885HRH3 1161/4885TSHR 4756/4885

“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.

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