SCHEMBL4488971

SCHEMBL4488971

CC(C)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 1/20 0.62
MAPT P10636 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
MAPK1 P28482 1/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.55
CES1 P23141 1/20 0.55
ALOX12 P18054 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL11163745 0.88 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL31530471 0.87 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL5501691 0.86 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6436191 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8922768 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL27776364 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL26885172 0.84 LMNA (0.61) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL5940588 0.83 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL26885176 0.83 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4576386 0.83 MEN1 (0.61) RAB9ANPC1SMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104003939-A Diaryl substituted glycolythiourea compounds as well as preparation method and application thereof UNIV SHANDONG 2014-08-27 CN claimed
EP-1332363-A4 DETECTION OF NEURODEGENERATIVE DISORDERS DOUBLE KAY (AU) 2007-08-29 EP claimed
US-7005546-B2 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. (US) 2006-02-28 US claimed
US-20050260577-A1 Detection of neurodegenerative disorders POWMRI LIMITED (AU) 2005-11-24 US claimed
US-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2004-12-30 US claimed
US-20040167226-A1 Methods for the treatment of pain and traumatic injury using benzamides and compositions containing the same RENOVIS, INC. 2004-08-26 US claimed
EP-1332363-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2003-08-06 EP claimed
WO-2002031499-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2002-04-18 WO claimed
CN-1073552-C Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACEUTICALS INC (US) 2001-10-24 CN claimed
EP-0819113-B1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS INC (US) 2001-06-27 EP claimed
US-6194465-B1 ADMINISTERING ACETAMIDO-, NITRO-, OR AMINO-MONO- OR DISUBSTITUTED N-ALKYL BENZAMIDE COMPOUNDS SUCH AS N-TERT-BUTYL-4-ACETAMIDOBENZAMIDE FOR PROPHLAXIS OR TREATMENT OF AN INFLAMMATORY BOWEL CONDITION IN A PATIENT CENTAUR PHARMACEUTICALS, INC. 2001-02-27 US claimed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN claimed
EP-0819113-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-21 EP claimed
WO-1996031462-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1996-10-10 WO claimed
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 US disclosed
US-10011578-B2 Compounds for stabilizing ryanodine receptors from aberrant levels of calcium release ROSALIND FRANKLIN UNIVERSITY OF MEDICINE AND SCIENCE (US) 2018-07-03 US disclosed
US-5643965-A TREATMENT OF DOPAMINE ASSOCIATED NERVOUS SYSTEM DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
US-5346691-A FOR USE IN DERMATOLOGICAL AND COSMETIC COMPOSITIONS 3V INC. (US) 1994-09-13 US disclosed
EP-0570838-A1 S-triazine derivatives as light stabilisers 3V SIGMA S.p.A (IT) 1993-11-24 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 (5 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-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 RAB9A 1226/4885NPC1 577/4885SMN1; SMN2 8/4885
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 RAB9A 1817/4885NPC1 72/4885SMN1; SMN2 4878/4885
US-20040167226-A1 Methods for the treatment of pain and traumatic injury using benzamides and compositions containing the same CNR1, NAA50, CNR2 RAB9A 2735/4885NPC1 377/4885SMN1; SMN2 123/4885
US-10011578-B2 Compounds for stabilizing ryanodine receptors from aberrant levels of calcium release CHERP, RYR1, RYR2 RAB9A 586/4885NPC1 617/4885SMN1; SMN2 116/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 RAB9A 1508/4885NPC1 1301/4885SMN1; SMN2 3223/4885

“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.