Ethane

Ethane

SCHEMBL6097475

CC.O=C(Nc1ccccc1)c1cc(N2CCCC2)nc2ccccc12

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.77
HIF1A Q16665 3/20 0.77
ALDH1A1 P00352 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
USP2 O75604 2/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
CYP3A4 P08684 4/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PKM P14618 2/20 0.55
GAA P10253 4/20 0.54
LMNA P02545 1/20 0.54
ACHE P22303 1/20 0.53

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
Ethane SCHEMBL6099926 0.99 KDM4E (0.75) KDM4EHIF1AALDH1A1L3MBTL1MAPT
Ethane SCHEMBL6102425 0.91 KDM4E (0.73) KDM4EHIF1AALDH1A1L3MBTL1MAPT
Ethane SCHEMBL6098608 0.90 KDM4E (0.72) KDM4EHIF1AALDH1A1L3MBTL1MAPT
Ethane SCHEMBL6099875 0.90 KDM4E (0.95) KDM4EHIF1AALDH1A1L3MBTL1MAPT
Ethane SCHEMBL6100973 0.89 KDM4E (0.65) KDM4EHIF1AALDH1A1L3MBTL1MAPT
SCHEMBL6097470 0.89 KDM4E (0.65) KDM4EHIF1AALDH1A1L3MBTL1MAPT
Ethane SCHEMBL6097651 0.89 KDM4E (0.71) KDM4EHIF1AALDH1A1L3MBTL1MAPT
SCHEMBL6097763 0.88 KDM4E (0.64) KDM4EHIF1AALDH1A1L3MBTL1MAPT
SCHEMBL6099924 0.88 KDM4E (0.64) KDM4EHIF1AALDH1A1L3MBTL1MAPT
Ethane SCHEMBL6099689 0.87 KDM4E (0.69) KDM4EHIF1AALDH1A1L3MBTL1MAPT

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-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION 2002-10-24 US claimed
WO-2000064877-A1 2-AMINOQUINOLINECARBOXAMIDES: NEUROKININ RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-11-02 WO claimed
US-7041664-B2 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION (US) 2006-05-09 US disclosed
US-6894044-B2 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION (US) 2005-05-17 US disclosed
US-20040229907-A1 2-Aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-11-18 US disclosed
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION 2002-10-24 US disclosed
US-6369053-B1 CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES; ALSO USEFUL AS PROBES FOR THE LOCALIZATION OF CELL SURFACE RECEPTORS; NONPEPTIDE NK-3 RECEPTOR ANTAGONISTS NEUROGEN CORPORATION 2002-04-09 US disclosed
WO-2000064877-A1 2-AMINOQUINOLINECARBOXAMIDES: NEUROKININ RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-11-02 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-20040229907-A1 2-Aminoquinolinecarboxamides: neurokinin receptor ligands OPRL1, OPRK1, KCNQ3 KDM4E 3541/4885HIF1A 3360/4885ALDH1A1 2033/4885
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands KCNQ3, OPRK1, KCNQ1 KDM4E 2712/4885HIF1A 3061/4885ALDH1A1 2180/4885

“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.