SCHEMBL16856705

SCHEMBL16856705

COc1ccc(Cn2nc(Cl)c(Br)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
CMA1 P23946 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
NPBWR1 P48145 2/20 0.43
DCTPP1 Q9H773 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CACNA1H O95180 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL15242958 0.90 KDM4E (0.50) ALDH1A1KDM4EMAPTALOX15CMA1
SCHEMBL22750749 0.83 KDM4E (0.44) ALDH1A1KDM4EMAPTALOX15CMA1
SCHEMBL17015175 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL16856726 0.81 LMNA (0.41) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL23294598 0.81 MMP13 (0.46) KDM4EALOX15CMA1NPC1RAB9A
SCHEMBL24569502 0.80 MAPK8 (0.44) ALDH1A1KDM4EALOX15CMA1NPC1
SCHEMBL16856769 0.79 NPC1 (0.47) KDM4EALOX15CMA1NPC1RAB9A
SCHEMBL22750785 0.79 NPBWR1 (0.42) ALDH1A1KDM4EMAPTALOX15CMA1
SCHEMBL16856764 0.78 KMT2A (0.46) MAPTRAB9ACACNA1HKMT2ACYP11B1
SCHEMBL16856698 0.78 CYP19A1 (0.48) ALDH1A1MAPTNPC1RAB9AL3MBTL1

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 7 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-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 ALDH1A1 104/4885KDM4E 4270/4885MAPT 4460/4885

“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.