SCHEMBL16856760

SCHEMBL16856760

O=C(O)c1nn(CC2CCCCC2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
P2RY14 Q15391 2/20 0.34
PTGER4 P35408 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FEN1 P39748 1/20 0.32

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
SCHEMBL16856745 0.95 P2RY14 (0.33) KDM4CMEN1KMT2ATSHRHTT
SCHEMBL16856738 0.92 NOTUM (0.34) KDM4CKMT2A
SCHEMBL16856753 0.80 SCD (0.39) PIK3CAFEN1
SCHEMBL16856721 0.77 CHRM5 (0.35) KDM4CMEN1KMT2ATSHRHTT
SCHEMBL16856732 0.71 WDR5 (0.33) GRM2
SCHEMBL16856709 0.71 NPC1 (0.43) TSHRHTTRAB9ANPC1SMN1; SMN2
SCHEMBL17351856 0.68 NPC1 (0.41) KDM4CMEN1KMT2AHTTRAB9A
SCHEMBL16856718 0.67 GRM2 (0.34) GRM2
SCHEMBL16856710 0.67 L3MBTL1 (0.32) MEN1KMT2ATSHRRAB9ANPC1
SCHEMBL16856700 0.66 CHRM5 (0.41) MEN1KMT2ARAB9ANPC1MAPT

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 9 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-9586912-B2 2-substituted-2H-1, 2, 3-triazole derivative and its preparation method ABA CHEMICALS CORPORATION (CN) 2017-03-07 US 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
US-20150232431-A1 2-SUBSTITUTED-2H-1, 2, 3-TRIAZOLE DERIVATIVE AND ITS PREPARATION METHOD ABA CHEMICALS CORPORATION (CN) 2015-08-20 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
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 KDM4C 3453/4885MEN1 1449/4885KMT2A 1660/4885

“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.