SCHEMBL2468488

SCHEMBL2468488

O=C1Cc2cc(S)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.61
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
PDK2 Q15119 1/20 0.53
EPHX2 P34913 1/20 0.51
PGR P06401 4/20 0.50
GRIA1 P42261 2/20 0.50
CACNG8 Q8WXS5 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CMA1 P23946 2/20 0.47
GAA P10253 1/20 0.46
EIF2AK2 P19525 1/20 0.46
MAOB P27338 3/20 0.44
KIF11 P52732 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL19042841 0.84 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL8557027 0.82 NPC1 (0.55) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL21533130 0.80 GRIA1 (0.68) AHRPDE3BPDE3AEPHX2PGR
SCHEMBL1044390 0.80 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL23788017 0.80 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL11298105 0.77 NPC1 (0.49) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL152963 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL433708 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL6431 0.76 AHR (0.72) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL1459491 0.76 TDP2 (0.62) AHRPDE3BPDE3APDK2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
CN-116171279-A Macrocyclic compounds and uses thereof 荣山医药股份有限公司 2023-05-26 CN disclosed
WO-2022011123-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-01-13 WO disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-9162981-B2 Compositions and methods for treatment of neurodegenerative disease THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-20 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
EP-2550263-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE The Johns Hopkins University (US) 2013-01-30 EP disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 WO disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 WO disclosed
US-7714146-B2 Azulene-oxindole compounds as multiple-kinase inhibitors and useful as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-05-11 US disclosed
US-20080125590-A1 Azulene compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-05-29 US disclosed
WO-2004099190-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-18 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 AHR 3212/4885PDE3B 763/4885PDE3A 1251/4885
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE CLN6, PSEN2, CHAT AHR 3990/4885PDE3B 465/4885PDE3A 401/4885
US-20080125590-A1 Azulene compounds AZI2, PRMT5, BRCA1 AHR 1545/4885PDE3B 893/4885PDE3A 1209/4885
US-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD AHR 574/4885PDE3B 879/4885PDE3A 926/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT AHR 3990/4885PDE3B 465/4885PDE3A 401/4885

“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.