SCHEMBL1393439

SCHEMBL1393439

CCCCCCCCCCCc1c(C)[nH]c2cc(F)cc(F)c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.52
▸ GHSR Q92847 1/20 0.40
▸ GPR17 Q13304 1/20 0.39
▸ GPR84 Q9NQS5 9/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TYMP P19971 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL31736881 1.00 SLC2A1 (0.52) SLC2A1GHSRGPR17GPR84ALDH1A1
SCHEMBL31736879 1.00 SLC2A1 (0.52) SLC2A1GHSRGPR17GPR84ALDH1A1
SCHEMBL1394536 1.00 SLC2A1 (0.52) SLC2A1GHSRGPR17GPR84ALDH1A1
SCHEMBL31736388 0.87 SLC2A1 (0.50) SLC2A1GHSRGPR84ALDH1A1HPGD
SCHEMBL31736756 0.85 SLC2A1 (0.57) SLC2A1GHSRGPR84ALDH1A1HPGD
SCHEMBL1393670 0.81 SLC2A1 (0.39) SLC2A1GPR17ALDH1A1HPGDKDM4E
SCHEMBL31736947 0.76 GHSR (0.62) SLC2A1GHSRALDH1A1HPGDKDM4E
SCHEMBL1349196 0.72 GPR17 (0.38) SLC2A1GPR17KDM4E
SCHEMBL31736294 0.72 SLC2A1 (0.57) SLC2A1GHSRGPR84ALDH1A1HPGD
SCHEMBL27959363 0.70 GCGR (0.41) HPGDMAPTHTTNPSR1

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-9206131-B2 Compounds having antiparasitic or anti-infectious activity OREGON HEALTH & SCIENCE UNIVERSITY (US) 2015-12-08 — — US disclosed
US-20140045888-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2014-02-13 — — US disclosed
US-8598354-B2 Compounds having antiparasitic or anti-infectious activity UNIVERSITY OF SOUTH FLORIDA (US) 2013-12-03 — — US disclosed
WO-2012167237-A2 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY MEDICINES FOR MALARIA VENTURE (CH) 2012-12-06 — — WO disclosed
US-20120115904-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY 2012-05-10 — — US disclosed
US-20120010237-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA DBA THE DEPARTMENT OF VETERANS AFFAIRS 2012-01-12 — — US disclosed
EP-2370411-A2 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY Oregon Health and Science University (US) 2011-10-05 — — EP disclosed
WO-2010065905-A2 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-06-10 — — 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 (3 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-20120010237-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY MASTL, RPS10, CBR3 SLC2A1 3213/4885GHSR 3481/4885GPR17 3556/4885
US-20140045888-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY H1-10, RAB10, HDAC10 SLC2A1 4021/4885GHSR 2078/4885GPR17 3360/4885
US-20120115904-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY H1-10, RAB10, HDAC10 SLC2A1 3960/4885GHSR 1996/4885GPR17 3418/4885

“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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