SCHEMBL3045885

SCHEMBL3045885

CC(C)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
GAA P10253 2/20 0.62
ALDH1A1 P00352 4/20 0.56
PTGS2 P35354 1/20 0.54
MEN1 O00255 1/20 0.53
ALOX12 P18054 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAOB P27338 1/20 0.49
POLB P06746 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KCNH2 Q12809 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
SCHEMBL28553590 0.91 MAPT (0.59) MAPTGAAALDH1A1PTGS2MEN1
SCHEMBL10643494 0.89 GAA (0.58) MAPTGAAALDH1A1PTGS2LMNA
SCHEMBL21157727 0.86 GAA (0.57) MAPTGAAALDH1A1PTGS2MEN1
SCHEMBL21157751 0.86 GAA (0.57) MAPTGAAALDH1A1PTGS2MEN1
SCHEMBL1496777 0.86 GAA (0.63) MAPTGAAALDH1A1PTGS2MEN1
SCHEMBL8605149 0.86 GAA (0.56) MAPTGAAALDH1A1PTGS2LMNA
SCHEMBL27183219 0.86 GAA (0.56) MAPTGAAALDH1A1PTGS2MEN1
SCHEMBL20766578 0.85 MAPT (0.60) MAPTGAAALDH1A1PTGS2MEN1
SCHEMBL21156443 0.85 GAA (0.56) MAPTGAAALDH1A1PTGS2MEN1
SCHEMBL21156916 0.85 GAA (0.56) MAPTGAAALDH1A1PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US claimed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US claimed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US claimed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 US claimed
EP-4724443-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE Acrivon Therapeutics, Inc. (US) 2026-04-15 EP disclosed
WO-2024254490-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE ACRIVON THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
WO-2020207611-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
WO-2020207570-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
WO-2017129818-A1 LINKER MOLECULE AND USE THEREOF IN METHODS FOR PURIFYING PEPTIDES HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2017-08-03 WO disclosed
US-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS IONIS PHARMACEUTICALS, INC. (US) 2017-05-25 US disclosed
WO-2013149997-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed
EP-2647628-A1 Substituted tricyclic compounds with activity towards ep1 receptors Almirall, S.A. (ES) 2013-10-09 EP disclosed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US disclosed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed
EP-0582506-B1 Tetrahydronaphtalene derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1996-02-28 EP disclosed
US-5373023-A Antiischaemic agent SYNTHELABO (FR) 1994-12-13 US disclosed
EP-0582506-A1 Tetrahydronaphtalene derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1994-02-09 EP 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-20060069262-A1 Oxadiazoles and their manufacture OXA1L, CYP1B1, OXER1 MAPT 2422/4885GAA 3856/4885ALDH1A1 331/4885
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes KCNH1, KCNJ2, KCNH2 MAPT 4219/4885GAA 3593/4885ALDH1A1 715/4885
US-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS SI, FABP2, GNE MAPT 3239/4885GAA 211/4885ALDH1A1 2760/4885

“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.