SCHEMBL16856739

SCHEMBL16856739

COC(=O)c1nn(C2CC2)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SLC6A4 P31645 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.32
F2 P00734 1/20 0.31

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
SCHEMBL16856746 0.94 NPSR1 (0.37) NPSR1KCNH2CNR2ALDH1A1KDM4E
SCHEMBL16856761 0.92 ALDH1A1 (0.40) NPSR1CNR2ALDH1A1KDM4EHPGD
SCHEMBL16856730 0.72 ADORA2A (0.34) ALDH1A1GAAHPGDTSHRHSD17B10
SCHEMBL16856774 0.69 NR3C1 (0.33) CNR2
SCHEMBL27166722 0.67 PSMB8 (0.44) KCNH2ALDH1A1KDM4EGAAHPGD
SCHEMBL31667331 0.66 ALDH1A1 (0.35) KCNH2CNR2ALDH1A1SLC6A3KDM4E
SCHEMBL9091123 0.65 NPSR1 (0.71) NPSR1ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL31306914 0.65 KDM4E (0.38) NPSR1KCNH2CNR2ALDH1A1SLC6A3
SCHEMBL31614261 0.65 KCNH2 (0.40) NPSR1KCNH2CNR2ALDH1A1KDM4E
SCHEMBL31563538 0.65 ALDH1A1 (0.38) NPSR1KCNH2CNR2ALDH1A1KDM4E

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-2889292-B1 2-SUBSTITUTED-2H-1, 2, 3-TRIAZOLE DERIVATIVE AND PREPARATION METHOD THEREOF ABA CHEMICALS CORP (CN) 2020-03-25 EP disclosed
US-9586912-B2 2-substituted-2H-1, 2, 3-triazole derivative and its preparation method ABA CHEMICALS CORPORATION (CN) 2017-03-07 US disclosed
US-20150232431-A1 2-SUBSTITUTED-2H-1, 2, 3-TRIAZOLE DERIVATIVE AND ITS PREPARATION METHOD ABA CHEMICALS CORPORATION (CN) 2015-08-20 US disclosed
EP-2889292-A1 2-SUBSTITUTED-2H-1, 2, 3-TRIAZOLE DERIVATIVE AND PREPARATION METHOD THEREOF ABA Chemicals Corporation (CN) 2015-07-01 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 (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-20150232431-A1 2-SUBSTITUTED-2H-1, 2, 3-TRIAZOLE DERIVATIVE AND ITS PREPARATION METHOD CYP1A2, CYP1B1, CYP3A5 NPSR1 2299/4885KCNH2 1182/4885CNR2 383/4885

“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.