SCHEMBL4744348

SCHEMBL4744348

O=C(Oc1ccc(CO)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.57
▸ BCL9 O00512 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ MAOB P27338 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MGLL Q99685 2/20 0.48
▸ IDO1 P14902 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
Ethylene Glycol SCHEMBL5476146 0.88 BCL9 (0.58) HTR2ABCL9CTNNB1GAATSHR
SCHEMBL26374 0.88 GAA (0.65) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL7757606 0.87 HTR2A (0.55) HTR2ABCL9CTNNB1GAATSHR
Alcohol SCHEMBL20595561 0.86 BCL9 (0.66) HTR2ABCL9CTNNB1GAATSHR
SCHEMBL22398685 0.86 KMT2A (0.68) BCL9CTNNB1GAAMAOBPKM
Hydrochloric Acid SCHEMBL7895043 0.86 GAA (0.62) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL15604223 0.85 BCL9 (0.60) HTR2ABCL9CTNNB1GAATSHR
SCHEMBL4598350 0.84 HSPB1 (0.59) TSHRMAOBKMT2AIDO1LOXL2
Paranitrobenzyl Alcohol SCHEMBL114620 0.84 TSHR (0.69) TSHRIDO1LOXL2ALDH1A1
SCHEMBL1394964 0.84 PPARG (0.50) TSHRKMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 — — US disclosed
US-20170128580-A1 TARGETED THERAPEUTICS TARVEDA THERAPEUTICS, INC. 2017-05-11 — — US disclosed
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 — — US disclosed
US-20170056510-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2017-03-02 — — US disclosed
US-20170049899-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2017-02-23 — — US disclosed
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2016-06-02 — — US disclosed
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2016-06-02 — — US disclosed
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2016-06-02 — — US disclosed
EP-2709668-A1 BIO-ORTHOGONAL DRUG ACTIVATION Koninklijke Philips N.V. (NL) 2014-03-26 — — EP disclosed
WO-2012156920-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 — — WO disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 — — US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 — — US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 — — US disclosed
WO-2008101202-A1 N-17-ALKYLATED PRODRUGS OF OPIOIDS PHARMACOFORE, INC. (US) 2008-08-21 — — WO disclosed
WO-2008101202-A1 N-17-ALKYLATED PRODRUGS OF OPIOIDS PHARMACOFORE, INC. (US) 2008-08-21 — — WO disclosed
US-20060269480-A1 Multi-triggered self-immolative dendritic compounds RAMOT AT TEL AVIV UNIVERSITY LTD. 2006-11-30 — — US 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 (7 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-20170128580-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HTR2A 3907/4885BCL9 1131/4885CTNNB1 3817/4885
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD HTR2A 1007/4885BCL9 3102/4885CTNNB1 1687/4885
US-20170049899-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HTR2A 3907/4885BCL9 1131/4885CTNNB1 3817/4885
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS HTR2A 3074/4885BCL9 466/4885CTNNB1 1429/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 HTR2A 204/4885BCL9 4360/4885CTNNB1 2790/4885
US-20170056510-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HTR2A 3907/4885BCL9 1131/4885CTNNB1 3817/4885
US-20060269480-A1 Multi-triggered self-immolative dendritic compounds CD14, DCLK1, ADAM9 HTR2A 4497/4885BCL9 673/4885CTNNB1 4808/4885

“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.

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