SCHEMBL4016592

SCHEMBL4016592

O=[N+]([O-])c1ccc(COCl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
AKR1C3 P42330 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
MAPT P10636 3/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOB P27338 1/20 0.53
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.49
KDR P35968 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL12134062 0.84 IDO1 (0.61) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL23091915 0.83 IDO1 (0.66) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL8062311 0.83 IDO1 (0.70) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL37463 0.83 IDO1 (0.70) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL28621039 0.82 CA12 (0.76) IDO1CA12CA1CA2CA7
SCHEMBL7032223 0.80 IDO1 (0.61) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL7769668 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL293414 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL21753899 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL7829129 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104341316-A Diarylamide type derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives SHANGHAI INST MATERIA MEDICA 2015-02-11 CN disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2044081-A2 IMPROVED OXIDATION PROCESS WITH ENHANCED SAFETY USEFUL IN THE MANUFACTURE OF MOXIDECTIN BY MEANS OF STABILISED 2-IODOXYBENZOIC ACID (SIBX) Wyeth (US) 2009-04-08 EP disclosed
WO-2007149305-A2 IMPROVED OXIDATION PROCESS WITH ENHANCED SAFETY USEFUL IN THE MANUFACTURE OF MOXIDECTIN BY MEANS OF STABILISED 2-IODOXYBENZOIC ACID (SIBX) WYETH (US) 2007-12-27 WO disclosed
CN-1914151-A Nitric oxide releasing prodrugs of diaryl-2 (5H) -furanones as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC (CA) 2007-02-14 CN disclosed
US-4992542-A Thienamycin antibiotics MERCK & CO., INC. (US) 1991-02-12 US disclosed
EP-0313474-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-04-26 EP disclosed
US-4180383-A Chamber holder for immobilized immunoadsorbent BECTON, DICKINSON AND COMPANY (US) 1979-12-25 US disclosed
US-4051186-A AMINO-PROPRANOLOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1977-09-27 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 (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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 IDO1 3213/4885AKR1C3 4450/4885LOXL2 4850/4885

“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.