SCHEMBL1815962

SCHEMBL1815962

CCCC1=N[N]c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL5602078 0.89 KDM4E (0.33) KDM4EALDH1A1ELANE
SCHEMBL5601077 0.87 KCNH2 (0.39)
SCHEMBL5600758 0.85 KCNH2 (0.42) ALDH1A1
SCHEMBL5601353 0.85 KCNH2 (0.42) ALDH1A1
SCHEMBL5602021 0.85 KCNH2 (0.42) ALDH1A1
SCHEMBL5602749 0.85 KCNH2 (0.42) ALDH1A1
SCHEMBL5603177 0.83 SMN1; SMN2 (0.35) ALDH1A1GAATP53
SCHEMBL3082719 0.74 MAPT (0.42) KDM4EALDH1A1TP53
SCHEMBL5601100 0.72 CALM1 (0.42) ALDH1A1HPGDELANE
SCHEMBL5601651 0.72 GABRA1 (0.32) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
EP-1735354-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Company Inc. (US) 2006-12-27 EP claimed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US claimed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO claimed
US-7939520-B2 Aminoazacyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-05-10 US disclosed
EP-2158195-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS Wyeth LLC (US) 2010-03-03 EP disclosed
US-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-27 US disclosed
WO-2008144299-A1 5- (AMINOAZACYCLYL) -3-SULFONYL-LH- INDAZOLES AS 5-HYDROXYTRYPTAMINE- 6 LIGANDS FOR THE TREATMENT OF CNS DISORDERS WYETH (US) 2008-11-27 WO disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
EP-1735354-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Company Inc. (US) 2006-12-27 EP disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 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 (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-20080293688-A1 AMINOAZACYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR3B, HTR5A KDM4E 3700/4885ALDH1A1 771/4885GAA 2733/4885

“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.