SCHEMBL2085965

SCHEMBL2085965

N#Cc1ccc(C2OCCS2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.35
▸ CYP2A6 P11509 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ AR P10275 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ LOXL2 Q9Y4K0 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
SCHEMBL9778735 0.84 MAOB (0.50) RAB9AMAOAMAOB
SCHEMBL6835060 0.75 MAPT (0.44) CYP2A6KDM1AMAOAMAOBTSHR
SCHEMBL1334352 0.72 CYP2A6 (0.39) HTR7CYP2A6ALDH1A1CA12CA2
SCHEMBL28935583 0.71 MAOA (0.39) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL10090706 0.70 ALDH1A1 (0.43) CYP2A6ALDH1A1
SCHEMBL2083710 0.70 MAOA (0.46) CA12CA2CA9CA14KDM1A
SCHEMBL2084801 0.70 ALDH1A1 (0.35) HTR7CYP2A6ALDH1A1CA12CA2
SCHEMBL1226208 0.70 TSHR (0.50) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL1225840 0.70 TSHR (0.50) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL1225841 0.70 TSHR (0.50) CYP2A6ALDH1A1CA12CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 — — EP claimed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US claimed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 — — EP claimed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 — — WO claimed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 — — US disclosed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 — — US disclosed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 — — US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 — — US disclosed
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 — — EP disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US disclosed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 — — EP disclosed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 — — 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-20070010563-A1 Novel methods for the treatment of inflammatory diseases MIF, CCL2, CCL11 HTR7 3969/4885CYP2A6 3074/4885ALDH1A1 1115/4885
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases MIF, CCL2, CCL11 HTR7 3969/4885CYP2A6 3074/4885ALDH1A1 1115/4885

“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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