SCHEMBL1134467

SCHEMBL1134467

Cc1ccccc1CNC(=O)c1cncc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
SCN2A Q99250 1/20 0.65
SCN10A Q9Y5Y9 1/20 0.65
ALDH1A1 P00352 4/20 0.61
HPGD P15428 2/20 0.61
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
CA2 P00918 1/20 0.51

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
SCHEMBL23960473 0.81 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL1558714 0.81 SMN1; SMN2 (1.00) SMN1; SMN2SCN2ASCN10AALDH1A1POLB
SCHEMBL1568387 0.77 HPGD (0.77) SCN2ASCN10AALDH1A1HPGDLMNA
SCHEMBL30780061 0.77 HPGD (0.77) SCN2ASCN10AALDH1A1HPGDLMNA
SCHEMBL4521046 0.77 ALDH1A1 (1.00) ALDH1A1HPGDGAALMNAHTT
SCHEMBL3824227 0.77 KDM4E (0.69) SMN1; SMN2ALDH1A1POLBGAANPC1
SCHEMBL5314337 0.75 KMT2A (0.67) SMN1; SMN2ALDH1A1POLBGAANPC1
SCHEMBL30856041 0.74 DGAT2 (0.61) SMN1; SMN2ALDH1A1HPGDGAACYP1A2
SCHEMBL1135350 0.74 CHRNB4 (0.57) SCN2ASCN10A
SCHEMBL6361404 0.74 PKM (0.71) SMN1; SMN2ALDH1A1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP disclosed
US-8648084-B2 Selective substituted pyrazine ligands for neuronal nicotinic receptors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS ABBVIE INC. 2012-07-26 US disclosed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US disclosed
CN-102015720-A Selective ligands for neuronal nicotinic receptors and uses thereof ABBOTT LAB 2011-04-13 CN disclosed
EP-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 EP disclosed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 WO disclosed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 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 (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-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS CHRNA4, CHRNB4, CHRNA2 SMN1; SMN2 306/4885SCN2A 106/4885SCN10A 152/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 SMN1; SMN2 310/4885SCN2A 113/4885SCN10A 139/4885

“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.