SCHEMBL2985646

SCHEMBL2985646

COC(OC)c1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 6/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CTSB P07858 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TXNRD1 Q16881 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL14206437 0.81 MEN1 (0.43) CYP19A1AAK1CYP3A4TSHRALDH1A1
SCHEMBL8185669 0.80 GPR35 (0.51) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL29465814 0.80 TDP1 (0.53) CYP3A4TSHRALDH1A1TDP1HTT
SCHEMBL14568010 0.80 TSHR (0.38) CYP3A4TSHRALDH1A1TDP1HTT
SCHEMBL2490861 0.80 TDP1 (0.53) CYP3A4TSHRALDH1A1TDP1HTT
SCHEMBL1855973 0.78 ALDH1A1 (0.52) CYP19A1ALDH1A1MAPTMEN1POLB
SCHEMBL16958454 0.78 CYP19A1 (0.41) CYP19A1AAK1CYP3A4TSHRALDH1A1
SCHEMBL11838138 0.78 ALDH1A1 (0.51) CYP3A4TSHRALDH1A1TDP1HTT
SCHEMBL541077 0.78 PARP1 (0.46) CYP3A4TSHRALDH1A1TDP1HTT
SCHEMBL11482811 0.77 CYP1A2 (0.42) CYP3A4ALDH1A1CYP2D6TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
WO-2009154645-A1 METHODS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM TUMORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-23 WO disclosed
WO-2009154645-A1 METHODS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM TUMORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-23 WO disclosed
EP-1937671-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-12-16 EP disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors SMITHKLINE BEECHAM CORPORATION 2009-01-01 US disclosed
US-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors SMITHKLINE BEECHAM CORPORATION 2009-01-01 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
EP-1937671-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SmithKline Beecham Corporation (US) 2008-07-02 EP disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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 (4 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-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors TUBB3, TUBB6, TUBB CYP19A1 3002/4885AAK1 4443/4885CYP3A4 1921/4885
US-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 CYP19A1 1824/4885AAK1 3858/4885CYP3A4 5/4885
US-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 CYP19A1 1755/4885AAK1 3463/4885CYP3A4 4/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 CYP19A1 183/4885AAK1 3400/4885CYP3A4 1/4885

“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.