SCHEMBL6193544

SCHEMBL6193544

O=Cc1cc(-c2cccs2)cs1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.53
▸ ERN1 O75460 6/20 0.51
▸ KCNH2 Q12809 1/20 0.43
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PGR P06401 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ SLC6A11 P48066 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.37
▸ GSK3B P49841 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
SCHEMBL30104097 0.76 PGR (0.44) DPP4CYP2A6PGR
SCHEMBL22733865 0.75 KCNH2 (0.48) ERN1KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL21654139 0.74 KCNH2 (0.41) ERN1KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL21654340 0.74 KCNH2 (0.38) ERN1KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL379478 0.74 HDAC6 (0.44) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL6194738 0.72 LMNA (0.46) ERN1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL5852 0.72 HDAC2 (0.56) DPP4ERN1KCNH2CYP2E1CYP3A4
SCHEMBL18876430 0.72 KCNH2 (0.46) ERN1KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL7396854 0.72 KCNH2 (0.46) ERN1KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL7396852 0.72 KCNH2 (0.46) ERN1KCNH2CYP2E1CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 — — CN claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 — — CN claimed
EP-1539765-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS AstraZeneca AB (SE) 2005-06-15 — — EP claimed
WO-2004016617-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2004-02-26 — — WO claimed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 — — US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 — — US disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 — — WO disclosed
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 — — CN disclosed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 — — CN 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 DPP4 1599/4885ERN1 1739/4885KCNH2 3909/4885

“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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