SCHEMBL136844

SCHEMBL136844

Cc1ccc(C(=O)c2c(N)sc3c2CCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.74
MAPT P10636 9/20 0.74
ALDH1A1 P00352 7/20 0.74
HPGD P15428 5/20 0.74
GAA P10253 2/20 0.74
LMNA P02545 1/20 0.74
ADORA1 P30542 1/20 0.65
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 5/20 0.58
USP2 O75604 1/20 0.58
FLT3 P36888 1/20 0.57
ALOX15 P16050 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
RECQL P46063 1/20 0.54

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
SCHEMBL135846 0.99 TDP1 (0.72) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL133029 0.97 TDP1 (0.70) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL3656064 0.87 ALDH1A1 (0.81) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL4060800 0.86 TDP1 (0.71) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL135449 0.86 TDP1 (0.71) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL3768107 0.85 TDP1 (0.74) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL3768395 0.85 TDP1 (0.74) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL138711 0.85 TDP1 (0.74) TDP1MAPTALDH1A1HPGDGAA
T-62 SCHEMBL135569 0.85 TDP1 (1.00) TDP1MAPTALDH1A1HPGDGAA
SCHEMBL1637546 0.85 ALDH1A1 (1.00) TDP1MAPTALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113782751-B Preparation method of high-flexibility carbon/resin composite material 宁波信远材料科技股份有限公司 2023-08-11 CN claimed
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 US claimed
CN-113782751-B Preparation method of high-flexibility carbon/resin composite material 宁波信远材料科技股份有限公司 2023-08-11 CN disclosed
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
US-20130245049-A1 Novel Antiviral Compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-09-19 US disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 US disclosed
US-20090041839-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2009-02-12 US disclosed
US-20090023799-A1 CRYSTALS OF (2-AMINO-4,5,6,7-TETRAHYDROBENZO[b]THIEN-3-YL)(4-CHLOROPHENYL)METHANONE KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2009-01-22 US disclosed
US-20080113969-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN CREDIT SUISSE AG 2008-05-15 US disclosed
US-20080108622-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN CREDIT SUISSE AG 2008-05-08 US disclosed
US-20080108603-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-05-08 US disclosed
WO-2008051760-A2 COMBINATION THERAPY FOR THE TREATMENT OF PAIN KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-05-02 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 (10 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-20090023799-A1 CRYSTALS OF (2-AMINO-4,5,6,7-TETRAHYDROBENZO[b]THIEN-3-YL)(4-CHLOROPHENYL)METHANONE ADORA1, ADORA2B, ADORA2A TDP1 1372/4885MAPT 1940/4885ALDH1A1 720/4885
US-20080113969-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN ADORA1, ADORA3, OPRL1 TDP1 2280/4885MAPT 3898/4885ALDH1A1 1275/4885
US-20080108603-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN ADORA1, ADORA3, OPRL1 TDP1 2280/4885MAPT 3898/4885ALDH1A1 1275/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS TDP1 928/4885MAPT 2061/4885ALDH1A1 1925/4885
US-20080108622-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN ADORA1, ADORA3, OPRL1 TDP1 2280/4885MAPT 3898/4885ALDH1A1 1275/4885
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS S1PR3, S1PR1, S1PR5 TDP1 1316/4885MAPT 4166/4885ALDH1A1 4570/4885
US-20130245049-A1 Novel Antiviral Compounds MAVS, EIF2AK2, ZC3HAV1 TDP1 2102/4885MAPT 2788/4885ALDH1A1 1414/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS TDP1 928/4885MAPT 2061/4885ALDH1A1 1925/4885
US-20090041839-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ADORA1, ADORA2A, ADORA3 TDP1 1259/4885MAPT 3488/4885ALDH1A1 2870/4885
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TDP1 2102/4885MAPT 2788/4885ALDH1A1 1414/4885

“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.