SCHEMBL2184440

SCHEMBL2184440

O=C(O)/C=C/c1ccccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
MAOB P27338 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NFKB1 P19838 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.49
ATM Q13315 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
BACE1 P56817 1/20 0.48

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
SCHEMBL820084 0.87 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL3295983 0.87 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL10673342 0.87 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL42323 0.87 MAPT (1.00) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL10855303 0.87 MAOB (0.78) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL10855293 0.87 MAOB (0.78) MAPTMAOBMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL27758234 0.85 MAPT (0.97) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL9297750 0.83 NFKB1 (0.67) MAPTSMN1; SMN2NFKB1KDM4ECA1
SCHEMBL1174499 0.79 MAPT (0.73) MAPTMAOBMEN1KMT2ARAB9A
SCHEMBL5595086 0.79 MAPT (0.73) MAPTMAOBMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
EP-2342192-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF Psychogenics Inc. (US) 2011-07-13 EP disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO disclosed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
EP-0889875-B1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES SEARLE & CO (US) 2001-06-20 EP disclosed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
US-5773644-A INTEGRIN ANTAGONISTS; TREATMENT OF RESTENOSIS, OSTEOPOROSIS, TUMOR METASTASIS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997036858-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
US-5196529-A Grampositive antibacterial agents MERCK & CO., INC. (US) 1993-03-23 US disclosed
US-5177202-A 2-phenanthrenyl-carbapenems MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0464901-A2 2-phenanthrenyl carbapenems MERCK & CO. INC. (US) 1992-01-08 EP disclosed
EP-0463852-A2 2-Phenanthrenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-02 EP disclosed
US-5004740-A Carbapenicillin antibiotics MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-5004739-A Dehydropeptidase inhibitor MERCK & CO., INC. (US) 1991-04-02 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 (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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 MAPT 1159/4885MAOB 325/4885MEN1 4482/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 MAPT 1159/4885MAOB 325/4885MEN1 4482/4885

“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.