SCHEMBL1283546

SCHEMBL1283546

Clc1ccc(Oc2cc[c]c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
SLC6A4 P31645 4/20 0.40
RHEB Q15382 2/20 0.40
HTT P42858 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.37
MCL1 Q07820 1/20 0.36
KCNH2 Q12809 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
SCHEMBL1219151 0.86 LTA4H (0.41) SLC6A4HTTSLC6A2CYP1A2CYP2C19
SCHEMBL1451754 0.83 HTR2A (0.41) HTR2ASLC6A4HTTMAPTMEN1
SCHEMBL6305659 0.80 MAPK14 (0.32) HTTMAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL2168004 0.76 DPP4 (0.41) SLC6A4HTTSLC6A2SLC6A3MAPT
SCHEMBL8123676 0.74 RHEB (0.48) SLC6A4RHEBSLC6A2SLC6A3CYP1A2
SCHEMBL15732451 0.72 CYP1A2 (0.42) HTR2ASLC6A4RHEBHTTSLC6A2
SCHEMBL148270 0.71 IDO1 (0.44) HTTCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL7753169 0.71 IDO1 (0.44) HTTCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL7834557 0.70 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL5880503 0.68 HTR2A (0.44) HTR2ASLC6A4RHEBHTTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1633290-A Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2005-06-29 CN claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP claimed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO claimed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
CN-101613321-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC 2009-12-30 CN disclosed
CN-101597262-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC (US) 2009-12-09 CN disclosed
CN-100525763-C Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2009-08-12 CN disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
CN-1633290-A Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2005-06-29 CN disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HTR2A 4529/4885SLC6A4 3560/4885RHEB 1574/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HTR2A 4509/4885SLC6A4 3416/4885RHEB 1726/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HTR2A 4514/4885SLC6A4 3548/4885RHEB 1438/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B HTR2A 4514/4885SLC6A4 3548/4885RHEB 1438/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HTR2A 4514/4885SLC6A4 3548/4885RHEB 1438/4885

“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.