SCHEMBL361358

SCHEMBL361358

O=C(O)COCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.61
HSD11B1 P28845 1/20 0.58
TBXAS1 P24557 9/20 0.53
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GRM5 P41594 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL8017516 0.98 NAPRT (0.59) NAPRTHSD11B1TBXAS1LMNAKMT2A
SCHEMBL19002297 0.85 HSD11B1 (0.57) NAPRTHSD11B1TBXAS1LMNAKMT2A
SCHEMBL8201174 0.83 TBXAS1 (0.58) NAPRTHSD11B1TBXAS1LMNAKMT2A
SCHEMBL28134030 0.83 TBXAS1 (0.58) NAPRTTBXAS1LMNAKMT2ATDP1
SCHEMBL493020 0.81 CYP1A2 (0.56) NAPRTHSD11B1TDP1CYP1A2
SCHEMBL21776361 0.81 HSD11B1 (0.53) NAPRTHSD11B1TBXAS1LMNAKMT2A
SCHEMBL18997784 0.81 HSD11B1 (0.53) NAPRTHSD11B1LMNAKMT2ATDP1
SCHEMBL7611883 0.81 LMNA (0.52) NAPRTLMNAKMT2ATDP1
SCHEMBL740186 0.81 CYP1A2 (0.60) LMNAKMT2ARECQLCYP1A2CYP3A4
SCHEMBL13298804 0.80 TBXAS1 (0.66) NAPRTTBXAS1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
EP-1246810-A1 PIPERIDINYLOXY AND PYRROLIDINYLOXYPHENYL OXAZOLIDINONES AS ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-09 EP disclosed
EP-1189923-A1 AROMATIC AND HETEROCYCLIC DERIVATIVES OF PHYTOSTEROLS AND/OR PHYTOSTANOLS FOR USE IN TREATING OR PREVENTING CARDIOVASCULAR DISEASE Forbes Medi-Tech Inc. (CA) 2002-03-27 EP disclosed
WO-2001046164-A1 PIPERIDINYLOXY AND PYRROLIDINYLOXYPHENYL OXAZOLIDINONES AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-06-28 WO disclosed
US-6174905-B1 AS CARCINOSTATIC AGENT TO A HEMATOLOGIC MALIGNANCY AND A SOLID CARCINOMA MITSUI CHEMICALS, INC. (JP) 2001-01-16 US disclosed
WO-2000078789-A1 AROMATIC AND HETEROCYCLIC DERIVATIVES OF PHYTOSTEROLS AND/OR PHYTOSTANOLS FOR USE IN TREATING OR PREVENTING CARDIOVASCULAR DISEASE FORBES MEDI-TECH INC. (CA) 2000-12-28 WO disclosed
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
EP-0847992-A1 Benzamide derivatives, useful as cell differentiation inducers Mitsui Chemicals, Inc. (JP) 1998-06-17 EP disclosed
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 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 (3 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NAPRT 2817/4885HSD11B1 2443/4885TBXAS1 3829/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD NAPRT 1304/4885HSD11B1 1224/4885TBXAS1 1244/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NAPRT 2817/4885HSD11B1 2443/4885TBXAS1 3829/4885

“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.