SCHEMBL1311754

SCHEMBL1311754

NC(=O)Cn1nnc2ccc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.53
GAA P10253 12/20 0.51
MGAM O43451 10/20 0.51
AMY1A P0DUB6 10/20 0.51
SI P14410 10/20 0.51
MGAM2 Q2M2H8 10/20 0.51
RAB9A P51151 5/20 0.51
KMO O15229 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1312576 0.88 TDO2 (0.53) TDO2GAAMGAMAMY1ASI
SCHEMBL2070662 0.78 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL1312137 0.77 HSP90AA1 (0.49) TDO2GAAMGAMAMY1ASI
SCHEMBL20529652 0.76 SLC9A1 (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL31473638 0.76 SLC9A1 (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL28047881 0.73 HCAR3 (0.59) TDO2GAAMGAMAMY1ASI
SCHEMBL31642496 0.73 SLC9A1 (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL26978926 0.73 KMO (0.42) TDO2GAAMGAMAMY1ASI
SCHEMBL30699124 0.73 AR (0.40) TDO2GAAMGAMAMY1ASI
SCHEMBL27038551 0.73 AR (0.40) TDO2GAAMGAMAMY1ASI

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-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 EP claimed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 US claimed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 US claimed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 WO claimed
EP-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 EP disclosed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 US disclosed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 US disclosed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 WO 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 (1 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-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GABBR1, ABAT, GABBR2 TDO2 252/4885GAA 1362/4885MGAM 3443/4885

“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.