SCHEMBL445014

SCHEMBL445014

O=C(O)c1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.74
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 4/20 0.60
POLB P06746 3/20 0.60
KDM4E B2RXH2 3/20 0.60
CASP3 P42574 2/20 0.60
SENP7 Q9BQF6 2/20 0.60
SENP6 Q9GZR1 2/20 0.60
HPGD P15428 1/20 0.60
SENP8 Q96LD8 1/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HPSE Q9Y251 2/20 0.57
TTR P02766 1/20 0.56
ALB P02768 1/20 0.56

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
SCHEMBL1675540 0.97 HDAC6 (0.71) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9797021 0.94 HDAC6 (0.65) HDAC6SMN1; SMN2RAB9ATP53MAPT
SCHEMBL13135790 0.92 HDAC6 (0.63) HDAC6SMN1; SMN2RAB9ATP53MAPT
SCHEMBL1675525 0.91 HDAC6 (0.63) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL17985190 0.91 HDAC6 (0.62) HDAC6SMN1; SMN2RAB9ATP53MAPT
SCHEMBL1675372 0.90 HDAC6 (0.65) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23717214 0.88 HDAC6 (0.71) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12171536 0.88 HDAC6 (0.63) HDAC6SMN1; SMN2RAB9ATP53MAPT
SCHEMBL14326101 0.88 HDAC6 (0.70) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19945200 0.88 HDAC6 (0.71) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US claimed
CN-100448852-C Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2009-01-07 CN claimed
EP-1587821-B1 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2008-08-20 EP claimed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US claimed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
CN-109180590-A A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free 福建医科大学 2019-01-11 CN disclosed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
EP-2325651-B1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2014-10-08 EP disclosed
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 EP disclosed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-20070078186-A1 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE 2007-04-05 US disclosed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US disclosed
CN-1747965-A Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2006-03-15 CN disclosed
EP-1587821-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING The Scripps Research Institute (US) 2005-10-26 EP disclosed
US-20040152140-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE 2004-08-05 US disclosed
WO-2004056315-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-08 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-20070078186-A1 Methods for treating transthyretin amyloid diseases TTR, TTPA, PRNP HDAC6 2617/4885SMN1; SMN2 239/4885NPC1 336/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 HDAC6 97/4885SMN1; SMN2 4/4885NPC1 2477/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG HDAC6 539/4885SMN1; SMN2 1928/4885NPC1 509/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG HDAC6 539/4885SMN1; SMN2 1928/4885NPC1 509/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP HDAC6 3685/4885SMN1; SMN2 280/4885NPC1 367/4885

“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.