SCHEMBL3704980

SCHEMBL3704980

CCCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
RAB9A P51151 4/20 0.64
KMT2A Q03164 3/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 2/20 0.64
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
TAAR1 Q96RJ0 1/20 0.64
ALOX12 P18054 1/20 0.62
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
USP2 O75604 1/20 0.60
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59

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
Dimethylamine SCHEMBL10718780 0.97 MAPT (0.64) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL5506646 0.90 MAPT (0.75) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL11621538 0.90 MAPT (0.81) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL5507892 0.89 MAPT (0.69) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL11617021 0.88 HDAC1 (0.69) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL11615321 0.88 HDAC1 (0.69) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL9507460 0.88 HDAC1 (0.69) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL11615696 0.88 HDAC1 (0.69) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL5694358 0.88 HDAC1 (0.69) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL11617043 0.88 HDAC1 (0.69) MAPTRAB9AKMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1581202-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME Renovis, Inc. (US) 2005-10-05 EP 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
WO-2004060286-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME RENOVIS, INC. (US) 2004-07-22 WO 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
EP-1079820-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-03-07 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
WO-1999059569-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO 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-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-4079056-A REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-14 US disclosed
US-4077957-A INTERMEDIATE FOR METHOTREXATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-07 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 (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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK MAPT 386/4885RAB9A 1486/4885KMT2A 1248/4885
US-20040167226-A1 Methods for the treatment of pain and traumatic injury using benzamides and compositions containing the same CNR1, NAA50, CNR2 MAPT 2635/4885RAB9A 2735/4885KMT2A 1576/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAPT 4552/4885RAB9A 1747/4885KMT2A 4556/4885

“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.