SCHEMBL1615006

SCHEMBL1615006

O=C1S/C(=C\c2cc(Br)cc(Br)c2)C(=O)N1CC1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ CGAS Q8N884 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B3 P37058 1/20 0.37
▸ CISD1 Q9NZ45 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ AKR1B1 P15121 4/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ COMT P21964 1/20 0.36

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
SCHEMBL1614983 1.00 HPGD (0.46) HPGDCGASHTTSMN1; SMN2HSD17B3
SCHEMBL2172638 0.82 HSD17B3 (0.60) HPGDCGASHSD17B3CISD1KMT2A
SCHEMBL2172642 0.82 HSD17B3 (0.60) HPGDCGASHSD17B3CISD1KMT2A
SCHEMBL12712453 0.79 COMT (0.48) HPGDCGASSMN1; SMN2ALDH1A1AKR1B1
SCHEMBL12712456 0.79 COMT (0.48) HPGDCGASSMN1; SMN2ALDH1A1AKR1B1
SCHEMBL12712434 0.77 BAG3 (0.51) HPGDSMN1; SMN2HSD17B3ALDH1A1KMT2A
SCHEMBL12712440 0.77 BAG3 (0.51) HPGDSMN1; SMN2HSD17B3ALDH1A1KMT2A
SCHEMBL1614016 0.77 SLC2A1 (0.48) HPGDCGASAKR1B1COMT
SCHEMBL1614013 0.77 SLC2A1 (0.48) HPGDCGASAKR1B1COMT
SCHEMBL1614944 0.76 AURKA (0.50) HPGDHTTSMN1; SMN2CISD1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488027-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS The Ohio State University Research Foundation (US) 2012-08-22 — — EP claimed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — WO claimed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — US claimed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — WO disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — US 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 HPGD 291/4885CGAS 1301/4885HTT 2112/4885

“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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