SCHEMBL1395699

SCHEMBL1395699

O=C(CCl)NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
TAAR1 Q96RJ0 1/20 0.58
MAPT P10636 7/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.56
HSP90AA1 P07900 1/20 0.56
XBP1 P17861 1/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.54
PKM P14618 1/20 0.53
TP53 P04637 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
SCHEMBL20718868 0.87 ALDH1A1 (0.60) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL22145338 0.86 ALDH1A1 (0.62) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL27524629 0.86 RAB9A (0.62) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9137509 0.86 ALDH1A1 (0.59) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3999174 0.85 APOBEC3A (0.58) SMN1; SMN2MEN1KMT2A
SCHEMBL1695076 0.83 SMN1; SMN2 (0.66) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6959797 0.82 KDM4E (0.62) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6958219 0.82 SMN1; SMN2 (0.68) ALDH1A1RAB9ASMN1; SMN2NPC1TAAR1
SCHEMBL8233676 0.79 MAPT (0.65) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9059825 0.78 TSHR (0.60) CNR1ALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011024078-A1 3 -OXOPIPERAZINIUM DERIVATIVES AS AGONISTS OF NERVE GROWTH FACTOR AND THEIR USE AS MEDICAMENTS INSTITUT D'INVESTIGACIONS BIOMEDIQUES AUGUST PII SUNYER (IDIBAPS) (ES) 2011-03-03 WO disclosed
WO-2011024078-A1 3 -OXOPIPERAZINIUM DERIVATIVES AS AGONISTS OF NERVE GROWTH FACTOR AND THEIR USE AS MEDICAMENTS INSTITUT D'INVESTIGACIONS BIOMEDIQUES AUGUST PII SUNYER (IDIBAPS) (ES) 2011-03-03 WO disclosed
EP-2289882-A1 3-oxopiperazinium derivatives as agonists of nerve growth factor and their use as medicaments Institut d'Investigacions Biomédiques August PI I Sunyer (ES) 2011-03-02 EP disclosed
EP-2289882-A1 3-oxopiperazinium derivatives as agonists of nerve growth factor and their use as medicaments Institut d'Investigacions Biomédiques August PI I Sunyer (ES) 2011-03-02 EP disclosed
US-7351389-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2008-04-01 US disclosed
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-28 US disclosed
US-6875864-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-05 US disclosed
US-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO SUISSE SA (CH) 2003-09-11 US disclosed
EP-0543482-B1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INT BV (NL) 2002-02-06 EP disclosed
EP-0543482-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 1993-05-26 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 (2 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-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties ARGLU1, PRMT1, AADAC CNR1 512/4885ALDH1A1 741/4885RAB9A 272/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS CNR1 634/4885ALDH1A1 691/4885RAB9A 546/4885

“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.