SCHEMBL1676535

SCHEMBL1676535

Nc1nc(-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54
LMNA P02545 2/20 0.51
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AMY1A P0DUB6 1/20 0.43
MGAM O43451 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALPL P05186 2/20 0.42
PTPN1 P18031 1/20 0.42
DPP4 P27487 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL7144947 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1LMNAMAPTALPL
SCHEMBL7674674 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1LMNAMAPTKDM4E
SCHEMBL24107433 0.79 HSP90AA1 (0.50) HSP90AA1HSP90AB1LMNAKDM4ERAB9A
SCHEMBL30292494 0.79 HSP90AA1 (0.50) HSP90AA1HSP90AB1LMNAKDM4ERAB9A
SCHEMBL27592593 0.77 PTPN1 (0.46) HSP90AA1HSP90AB1LMNAMAPTKDM4E
SCHEMBL28573837 0.77 SMN1; SMN2 (0.44) HSP90AA1HSP90AB1LMNAMAPTKDM4E
SCHEMBL5666016 0.76 ALPL (0.47) HSP90AA1HSP90AB1LMNAALPLDPP4
SCHEMBL8744729 0.76 KDM4E (0.46) HSP90AA1HSP90AB1LMNAMAPTKDM4E
SCHEMBL27610666 0.76 HSP90AA1 (0.43) HSP90AA1HSP90AB1LMNAMAPTKDM4E
SCHEMBL2571562 0.76 HSP90AA1 (0.44) HSP90AA1HSP90AB1LMNAMAPTKDM4E

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
EP-1175155-A4 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CT (US) 2005-10-19 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed
US-5358960-A Stabilization of protein; aging resistance THE ROCKEFELLER UNIVERSITY (US) 1994-10-25 US 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 (3 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE HSP90AA1 3076/4885HSP90AB1 2732/4885LMNA 4379/4885
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 HSP90AA1 2922/4885HSP90AB1 3534/4885LMNA 1961/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE HSP90AA1 3076/4885HSP90AB1 2732/4885LMNA 4379/4885

“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.