SCHEMBL16856746

SCHEMBL16856746

COC(=O)c1nn(C2CCC2)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31
KMT2A Q03164 2/20 0.31
OPRK1 P41145 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL16856761 0.95 ALDH1A1 (0.40) NPSR1ALDH1A1HSD17B10CNR2SMN1; SMN2
SCHEMBL16856739 0.94 NPSR1 (0.39) NPSR1ALDH1A1HSD17B10CNR2ATM
SCHEMBL16856730 0.77 ADORA2A (0.34) ALDH1A1HSD17B10SMN1; SMN2HPGDLMNA
SCHEMBL26664816 0.67 OPRK1 (0.36) NPSR1ALDH1A1HSD17B10CNR2SMN1; SMN2
SCHEMBL16856774 0.67 NR3C1 (0.33) CNR2
SCHEMBL16856751 0.65 ADORA2A (0.34) ADORA2A
SCHEMBL2077051 0.64 ELANE (0.54) ALDH1A1HSD17B10SMN1; SMN2TSHRKDM4E
SCHEMBL9091123 0.63 NPSR1 (0.71) NPSR1ALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL20495112 0.61 NPSR1 (0.40) NPSR1ALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL29878378 0.61 NPSR1 (0.48) NPSR1ALDH1A1HSD17B10SMN1; SMN2L3MBTL1

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 2299/4885ALDH1A1 104/4885HSD17B10 707/4885

“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.