SCHEMBL4746148

SCHEMBL4746148

CC(C)(C)OC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 4/20 0.61
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
TP53 P04637 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
TSHR P16473 2/20 0.57
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
ALOX5 P09917 2/20 0.53
NPC1 O15118 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR3C2 P08235 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL30822838 1.00 MAPT (0.62) MAPTALDH1A1CES2CES1TP53
SCHEMBL27479603 0.85 ALDH1A1 (0.58) MAPTALDH1A1CES2CES1TP53
SCHEMBL8110956 0.84 POLB (0.49) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28657003 0.84 MAPT (0.53) MAPTALDH1A1CES2CES1TP53
SCHEMBL31270988 0.83 ALOX5 (0.53) MAPTALDH1A1CES2CES1MEN1
SCHEMBL8137824 0.83 SMN1; SMN2 (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL31103641 0.82 MEN1 (0.76) MAPTALDH1A1CES2CES1TP53
SCHEMBL1572442 0.82 MEN1 (0.76) MAPTALDH1A1CES2CES1TP53
SCHEMBL7656493 0.82 CES2 (0.70) MAPTALDH1A1CES2CES1TP53
SCHEMBL4721013 0.82 CES2 (0.70) MAPTALDH1A1CES2CES1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079759-A1 NOVEL SINGLE STEP ESTERIFICATION PROCESS OF ALDEHYDES USING A HETEROGENEOUS CATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
EP-1212305-A2 1,5-BENZODIAZEPINE DERIVATIVES AS CCK-A RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2002-06-12 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
EP-0756602-B1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC (US) 1999-06-30 EP disclosed
US-5795887-A Method of inducing cholecystokinin agonist activity using 1,4- Benzodiazepine compounds GLAXO WELLCOME INC. (US) 1998-08-18 US disclosed
US-5739129-A AGONIST ACTIVITY GLAXO WELLCOME INC. (US) 1998-04-14 US disclosed
EP-0756602-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1997-02-05 EP disclosed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
US-5585376-A 1,5-benzodiazepine derivatives having CCK and/or gastrin antagonistic activity GLAXO WELLCOME INC. (US) 1996-12-17 US disclosed
EP-0694040-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO WELLCOME INC. (US) 1996-01-31 EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1995028419-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1994024151-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 MAPT 2392/4885ALDH1A1 2641/4885CES2 3915/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 MAPT 18/4885ALDH1A1 4018/4885CES2 554/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 MAPT 2392/4885ALDH1A1 2641/4885CES2 3915/4885

“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.