SCHEMBL1314840

SCHEMBL1314840

CC[C@H](Nc1ccc(Br)cc1N)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.43
FPR2 P25090 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
PIP4K2A P48426 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
PLEC Q15149 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 2/20 0.35

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
SCHEMBL1312294 0.80 HCAR3 (0.50) KDM4EMAPTALDH1A1HTT
SCHEMBL31520743 0.78 AAK1 (0.48) AAK1FPR2HDAC3HDAC1
SCHEMBL31444708 0.78 AAK1 (0.48) AAK1FPR2HDAC3HDAC1
SCHEMBL25329657 0.74 APEX1 (0.43) AAK1KDM4EALDH1A1GAA
SCHEMBL9102892 0.72 AAK1 (0.43) AAK1HDAC3HDAC1KDM4EMAPT
SCHEMBL29673248 0.72 AAK1 (0.43) AAK1HDAC3HDAC1KDM4EMAPT
SCHEMBL16722382 0.72 AAK1 (0.42) AAK1HDAC3HDAC1KDM4EMAPK13
SCHEMBL16722381 0.72 AAK1 (0.42) AAK1HDAC3HDAC1KDM4EMAPK13
SCHEMBL13561053 0.70 AAK1 (0.48) AAK1HDAC3HDAC1KDM4EMAPT
SCHEMBL22502529 0.70 AAK1 (0.48) AAK1FPR2HDAC3HDAC1MAPT

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 4 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 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 AAK1 2845/4885FPR2 2071/4885HDAC3 79/4885

“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.