SCHEMBL3462083

SCHEMBL3462083

COc1[c]ccc([N+](N)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2685223 0.81 HTT (0.47) HTTTDP1
SCHEMBL2767676 0.76 CYP3A4 (0.31) TDP1
SCHEMBL3462831 0.72 HTT (0.33) HTTTDP1
SCHEMBL220664 0.71
SCHEMBL1720012 0.71 KMT2A (0.30)
SCHEMBL2890991 0.70
SCHEMBL6816414 0.69
SCHEMBL4858324 0.69 CYP3A4 (0.33) TDP1
SCHEMBL8089743 0.68 APP (0.44) HTTTDP1
SCHEMBL77754 0.67 CA1 (0.39) TDP1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORPORATION (KR) 2017-10-05 US claimed
EP-3187486-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND Amorepacific Corporation (KR) 2017-07-05 EP claimed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP claimed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-3187486-B1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORP (KR) 2023-10-18 EP disclosed
US-10696611-B2 Adamantane derivative compound AMOREPACIFIC CORPORATION (KR) 2020-06-30 US disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORPORATION (KR) 2017-10-05 US disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
EP-3187486-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND Amorepacific Corporation (KR) 2017-07-05 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (2 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-10696611-B2 Adamantane derivative compound ADAM8, BACE1, CYP17A1 HTT 1830/4885TDP1 1151/4885
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND ADAM8, CYP17A1, ADAM10 HTT 2081/4885TDP1 1225/4885

“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.