SCHEMBL1134528

SCHEMBL1134528

COc1cc(NC(=O)c2cncc(Cl)n2)cc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 3/20 0.67
▸ SCN10A Q9Y5Y9 3/20 0.67
▸ ATF1 P18846 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ RAB9A P51151 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ STAT1 P42224 1/20 0.49
▸ P2RX1 P51575 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL31388043 0.78 MAPT (0.62) SCN2ASCN10ARAB9AKMT2ANPC1
SCHEMBL24993584 0.78 KMT2A (0.50) SCN2ASCN10AKMT2ANPC1SMN1; SMN2
SCHEMBL29215101 0.78 KMT2A (0.50) SCN2ASCN10AKMT2ANPC1SMN1; SMN2
SCHEMBL1134481 0.78 SCN2A (0.64) SCN2ASCN10ASMN1; SMN2PLAUGRM5
SCHEMBL2302037 0.73 KCNQ3 (0.67) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL2064811 0.73 SCN2A (0.70) SCN2ASCN10ARAB9AKMT2ANPC1
SCHEMBL1135199 0.73 SCN2A (0.50) SCN2ASCN10ACHRNB4CHRNA3
SCHEMBL2847725 0.73 GRM5 (0.54) SCN2ASCN10ARAB9ANPC1GAA
SCHEMBL1134502 0.73 MRGPRX4 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL28491336 0.72 SMN1; SMN2 (0.58) SCN2ASCN10ANFKB1RAB9AKMT2A

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 7 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
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 SCN2A 106/4885SCN10A 152/4885ATF1 4137/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 SCN2A 113/4885SCN10A 139/4885ATF1 4498/4885

“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.

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