SCHEMBL710856

SCHEMBL710856

COC(=O)c1c[c]cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.44
VCAM1 P19320 1/20 0.43
RECQL P46063 1/20 0.43
ALOX5 P09917 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL7520934 0.82 NPC1 (0.62) POLBKMT2ASMN1; SMN2MAPT
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.82 SMN1; SMN2 (0.60) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL561284 0.82 HTT (0.64) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL300172 0.81 CA1 (0.52) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7525861 0.79 CYP3A4 (0.42) MEN1KMT2ASMN1; SMN2MAPTALOX5
SCHEMBL7406647 0.78 TP53 (0.56) MEN1KMT2ASMN1; SMN2ALOX5
SCHEMBL8413415 0.77 HTT (0.56) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8762477 0.77 HTT (0.59) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL16952347 0.77 CYP3A4 (0.66) POLBMEN1KMT2ASMN1; SMN2GAA
SCHEMBL3082334 0.76 TSHR (0.57) POLBMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139546-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-09-22 US claimed
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-08-25 US claimed
US-7888365-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-15 US claimed
EP-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP claimed
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-09-25 US claimed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO claimed
CN-115279741-A 4-phenyl-N- (phenyl) thiazol-2-amine derivatives and related compounds as Aryl Hydrocarbon Receptor (AHR) agonists for the treatment of, for example, angiogenesis-related disorders or inflammatory disorders 医肯纳肿瘤学公司 2022-11-01 CN disclosed
CN-111108148-B Treatment additives for silicone elastomer bases 美国陶氏有机硅公司 2022-08-23 CN disclosed
US-20210087360-A1 HANDLING ADDITIVE FOR SILICONE ELASTOMER BASES DOW SILICONES CORPORATION 2021-03-25 US disclosed
EP-3662012-A1 HANDLING ADDITIVE FOR SILICONE ELASTOMER BASES Dow Silicones Corporation (US) 2020-06-10 EP disclosed
CN-111108148-A Treatment additives for silicone elastomer bases 美国陶氏有机硅公司 2020-05-05 CN disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
WO-2019024779-A1 HANDLING ADDITIVE FOR SILICONE ELASTOMER BASES DOW SILICONES CORPORATION (US) 2019-02-07 WO disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0920426-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-06-09 EP disclosed
WO-1998008841-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
WO-1998008830-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP 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 (2 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-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof CNR1, CNR2, OPRM1 POLB 4171/4885MEN1 3801/4885KMT2A 2313/4885
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof CNR1, CNR2, OPRM1 POLB 4171/4885MEN1 3801/4885KMT2A 2313/4885

“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.