SCHEMBL5656396

SCHEMBL5656396

O=C1c2ccccc2CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
PTPRC P08575 3/20 0.58
CES1 P23141 2/20 0.58
S100A4 P26447 2/20 0.58
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 2/20 0.55
MPI P34949 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL16559365 0.92 MAPT (0.61) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL13765164 0.90 PTPRC (0.58) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL27931452 0.88 PTPRC (0.54) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL12298162 0.84 PTPRC (0.58) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL16559359 0.84 MAPT (0.52) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL1527540 0.81 PTPRC (0.54) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL31456586 0.81 PTPRC (0.54) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL4053805 0.81 MAPT (0.49) MAPTRAB9ASMN1; SMN2CASP3SENP8
SCHEMBL30954730 0.80 BAZ1A (0.58) MAPTRAB9ASMN1; SMN2CASP3ALDH1A1
SCHEMBL568785 0.80 BAZ1A (0.58) MAPTRAB9ASMN1; SMN2CASP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265146-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2007-09-04 US disclosed
US-7265146-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2007-09-04 US disclosed
US-7265146-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2007-09-04 US disclosed
US-20050187284-A1 Integrin receptor inhibitors GENENTECH, INC. (US) 2005-08-25 US disclosed
US-6933314-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2005-08-23 US disclosed
US-20040077693-A1 Integrin receptor inhibitors GENENTECH, INC. 2004-04-22 US disclosed
US-6706753-B2 2-AMINO-FLUORENE DERIVATIVES USEFUL FOR PROPHYLACTIC AND/OR THERAPEUTIC TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED WITH ALPHA 4 INTERGRINS OR THEIR LIGANDS GENENTECH, INC. 2004-03-16 US disclosed
EP-1330430-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2003-07-30 EP disclosed
US-20030100599-A1 2-amino-fluorene derivatives useful for prophylactic and/or therapeutic treatment of diseases and conditions associated with alpha 4 intergrins or their ligands GENENTECH, INC. 2003-05-29 US disclosed
US-20020035104-A1 Integrin receptor inhibitors GENENTECH, INC. 2002-03-21 US disclosed
WO-2002016313-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2002-02-28 WO disclosed
US-6008411-A THE ANTIBODIES AND ENZYME CONJUGATES ARE PROVIDED IN COMBINATION IN KITS TO BE USED FOR THE RAPID AND ACCURATE DETERMINATION OF NORTRIPTYLINE IN SERUM AND OTHER BODILY FLUIDS; A TRICYCLIC ANTIDEPRESSANT DADE BEHRING MARBURG GMBH (DE) 1999-12-28 US disclosed
EP-0177344-B1 SERUM PRETREATMENT FOR TRICYCLIC ANTIDEPRESSANT DRUG ASSAYS AND KIT THEREFOR SYNTEX (U.S.A.) INC. (US) 1992-04-08 EP disclosed
EP-0167256-B1 NORTRIPTYLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, CONJUGATES THEREOF TO ANTIGENIC PROTEINS AND ENZYMES, ANTIBODIES THERETO, AND RELATED ASSAY METHODS SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
US-4795822-A ANTIDEPRESSANT SYNTEX (U.S.A.) INC. (US) 1989-01-03 US disclosed
EP-0177344-A2 Serum pretreatment for tricyclic antidepressant drug assays and kit therefor SYNTEX (U.S.A.) INC. (US) 1986-04-09 EP disclosed
EP-0167256-A1 Nortriptyline derivatives, processes for their preparation, conjugates thereof to antigenic proteins and enzymes, antibodies thereto, and related assay methods SYNTEX (U.S.A.) INC. (US) 1986-01-08 EP disclosed
US-4003915-A ANTICONVULSANTS, PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1977-01-18 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 (4 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-20040077693-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 MAPT 4730/4885RAB9A 879/4885SMN1; SMN2 3119/4885
US-20020035104-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 MAPT 4730/4885RAB9A 879/4885SMN1; SMN2 3119/4885
US-20050187284-A1 Integrin receptor inhibitors ITGA4, ITGB4, ITGB1 MAPT 4495/4885RAB9A 700/4885SMN1; SMN2 3338/4885
US-20030100599-A1 2-amino-fluorene derivatives useful for prophylactic and/or therapeutic treatment of diseases and conditions associated with alpha 4 intergrins or their ligands ITGA1, ITGA2, ITGB1 MAPT 4867/4885RAB9A 1287/4885SMN1; SMN2 2472/4885

“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.