SCHEMBL4732452

SCHEMBL4732452

CC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SRD5A2 P31213 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ALOX5 P09917 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL29955780 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1TP53TDP1SMN1; SMN2
Acetone SCHEMBL28637824 0.92 TP53 (0.58) ALDH1A1MAPK1TP53TDP1SMN1; SMN2
SCHEMBL7137680 0.92 ALDH1A1 (0.66) ALDH1A1MAPK1TP53SMN1; SMN2CYP3A4
SCHEMBL8501497 0.90 ALDH1A1 (0.63) ALDH1A1MAPK1TP53SMN1; SMN2CYP3A4
SCHEMBL8501501 0.90 ALDH1A1 (0.63) ALDH1A1MAPK1TP53SMN1; SMN2CYP3A4
SCHEMBL232779 0.90 TP53 (0.64) ALDH1A1TP53TDP1SMN1; SMN2CYP3A4
SCHEMBL3291219 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1TP53SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL3088495 0.88 TP53 (0.62) ALDH1A1TP53TDP1SMN1; SMN2CYP3A4
SCHEMBL9133420 0.88 TP53 (0.62) ALDH1A1TP53TDP1SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL2299193 0.88 TP53 (0.62) ALDH1A1TP53TDP1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120157484-A Nickel-titanium alloy reinforced nano silicon carbide composite ceramic material and preparation process thereof 苏州奥耐特碳化硅陶瓷科技有限公司 2025-06-17 CN claimed
CN-120157484-A Nickel-titanium alloy reinforced nano silicon carbide composite ceramic material and preparation process thereof 苏州奥耐特碳化硅陶瓷科技有限公司 2025-06-17 CN disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7553831-B2 Beta-secretase inhibitors; inhibiting cleavage of amyloid precursor protein (APP); hydroxy-functional disubstituted amines such as 6-(([[(2S,3S)-4-(3,5-difluorophenyl)-3-((3-[(dipropylamino)carbonyl]benzoyl)amino)-2-hydroxybutyl](ethyl)amino]carbonyl)amino)hexanoic acid ELAN PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 WO disclosed
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 WO disclosed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME ALDH1A1 2044/4885MAPK1 3956/4885TP53 1060/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT ALDH1A1 524/4885MAPK1 3375/4885TP53 3792/4885
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NUDT1, PNP, NME2 ALDH1A1 2447/4885MAPK1 3463/4885TP53 1918/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALDH1A1 2133/4885MAPK1 3409/4885TP53 2381/4885

“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.