SCHEMBL6203061

SCHEMBL6203061

COc1ccc(C(=O)c2ccc(OC)cc2-c2cc([N+](=O)[O-])ccc2Cl)c(-c2cc([N+](=O)[O-])ccc2Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
GAA P10253 2/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PAX8 Q06710 2/20 0.48
LMNA P02545 1/20 0.48
RAF1 P04049 1/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
SNCA P37840 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL27553747 0.86 GAA (0.53) MAPK1NPSR1GAAHTTMAPT
SCHEMBL27618612 0.82 MAPK1 (0.69) MAPK1NPSR1GAAHTTMAPT
SCHEMBL5175720 0.80 MAPK1 (0.77) MAPK1NPSR1GAAHTTMAPT
SCHEMBL5390822 0.77 KDM4E (0.60) MAPK1NPSR1GAAHTTMAPT
SCHEMBL11264402 0.76 MAPK1 (0.85) MAPK1NPSR1GAAHTTMAPT
SCHEMBL6846139 0.76 MAPK1 (1.00) MAPK1NPSR1GAAHTTMAPT
SCHEMBL10727439 0.76 MAPK1 (0.81) MAPK1NPSR1GAAHTTMAPT
SCHEMBL10953243 0.72 HSD17B10 (0.62) MAPK1NPSR1GAAMAPTKDM4E
SCHEMBL7039446 0.72 HTT (0.55) MAPK1NPSR1GAAHTTMAPT
SCHEMBL19785375 0.72 HSP90AA1 (0.56) NPSR1MAPTKDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425279-A4 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2005-10-26 EP disclosed
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines PHARMACIA CORPORATION (US) 2005-04-28 US disclosed
EP-1448546-A4 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE SEARLE LLC (US) 2005-02-02 EP disclosed
US-6794544-B2 APICAL SODIUM CO- DEPENDENT BILE ACID TRANSPORTER (ASBT) INHIBITORS PHARMACIA CORPORATION 2004-09-21 US disclosed
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC 2004-09-09 US disclosed
EP-1448546-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. Searle LLC (US) 2004-08-25 EP disclosed
US-20040110761-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders G.D. SEARLE LLC 2004-06-10 US disclosed
EP-1425279-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. Searle LLC (US) 2004-06-09 EP disclosed
US-6740663-B2 ANTIHYPERLIPIDEMIC AGENTS G.D. SEARLE, LLC 2004-05-25 US disclosed
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2004-04-29 US disclosed
US-20030232834-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders KELLER BRADLEY T (US) 2003-12-18 US disclosed
WO-2003022804-A9 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2003-12-18 WO disclosed
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines G.D. SEARLE, LLC (US) 2003-10-23 US disclosed
US-6586434-B2 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2003-07-01 US disclosed
WO-2003040127-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. SEARLE LLC (US) 2003-05-15 WO disclosed
WO-2003022804-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. SEARLE LLC (US) 2003-03-20 WO disclosed
EP-1286984-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES Pharmacia Corporation (US) 2003-03-05 EP disclosed
US-20020061888-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders G.D. SEARLE LLC 2002-05-23 US disclosed
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE LLC 2002-03-14 US disclosed
WO-2001068637-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES PHARMACIA CORPORATION (US) 2001-09-20 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 (8 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-20040110761-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders SLC10A1, HMGCR, SLC10A2 MAPK1 3790/4885NPSR1 2459/4885GAA 670/4885
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines TPMT, MPST, SULT1A1 MAPK1 3866/4885NPSR1 3308/4885GAA 2967/4885
US-20030232834-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders TOP2A, TOP2B, TYMP MAPK1 2895/4885NPSR1 4218/4885GAA 996/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 MAPK1 3514/4885NPSR1 3049/4885GAA 3430/4885
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake SLC10A1, SLC10A2, ABCB11 MAPK1 3437/4885NPSR1 3233/4885GAA 1008/4885
US-20020061888-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders SLC10A1, HMGCR, SLC10A2 MAPK1 3892/4885NPSR1 2872/4885GAA 298/4885
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 MAPK1 3514/4885NPSR1 3049/4885GAA 3430/4885
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 MAPK1 3514/4885NPSR1 3049/4885GAA 3430/4885

“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.