SCHEMBL13667408

SCHEMBL13667408

[N-]=[N+]=Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.54
▸ SRD5A2 P31213 1/20 0.52
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP51A1 Q16850 1/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 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
SCHEMBL13882615 0.92 TP53 (0.53) PTGS2ALDH1A1SRD5A2HDAC1HDAC2
SCHEMBL31324088 0.85 TRPA1 (0.62) PTGS2SRD5A2HDAC1HDAC2TP53
SCHEMBL29000782 0.84 MEN1 (0.59) PTGS2ALDH1A1HDAC1HDAC2TP53
SCHEMBL13449659 0.82 TP53 (0.52) PTGS2ALDH1A1SRD5A2HDAC1HDAC2
SCHEMBL28083230 0.82 TP53 (0.52) PTGS2ALDH1A1SRD5A2HDAC1HDAC2
SCHEMBL27937341 0.82 MAPK1 (0.54) PTGS2ALDH1A1SRD5A2TDP1L3MBTL1
Acetophenone SCHEMBL14860336 0.81 PTGS2 (0.54) PTGS2ALDH1A1HDAC1HDAC2TDP1
SCHEMBL28259495 0.81 PTGS2 (0.47) PTGS2ALDH1A1SRD5A2HDAC1HDAC2
Hydrochloric Acid SCHEMBL28856167 0.80 TP53 (0.50) PTGS2ALDH1A1SRD5A2HDAC1HDAC2
Acetophenone SCHEMBL29127417 0.79 PTGS2 (0.51) PTGS2ALDH1A1HDAC1HDAC2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607300-B1 PROCESS FOR HYDROGENATION OF ORGANIC COMPOUNDS USING HYDROGEN OR HEAVY HYDROGEN SHIONO CHEMICAL CO LTD (JP) 2020-05-13 — — EP disclosed
US-9676622-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2017-06-13 — — US disclosed
US-9676622-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2017-06-13 — — US disclosed
US-9676622-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2017-06-13 — — US disclosed
US-20140363369-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2014-12-11 — — US disclosed
US-20140363369-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2014-12-11 — — US disclosed
US-20140363369-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2014-12-11 — — US disclosed
US-8871980-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2014-10-28 — — US disclosed
US-8871980-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2014-10-28 — — US disclosed
EP-2607300-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME Shiono Chemical Co., Ltd. (JP) 2013-06-26 — — EP disclosed
US-20130150623-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2013-06-13 — — US disclosed
US-20130150623-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2013-06-13 — — US disclosed
US-20110038890-A1 Cellular And Viral Inactivation THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-02-17 — — US disclosed
US-20110038890-A1 Cellular And Viral Inactivation THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-02-17 — — US disclosed
WO-2009131606-A2 VIRAL INACTIVATION USING CROSSLINKERS AND DETERGENTS BELANGER JULIE M (US) 2009-10-29 — — 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 (1 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-20110038890-A1 Cellular And Viral Inactivation PDIA5, HAVCR2, MAVS PTGS2 3982/4885ALDH1A1 2690/4885SRD5A2 3945/4885

“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.

Send feedback