SCHEMBL16856769

SCHEMBL16856769

COc1ccc(Cn2nc(Cl)c(C(=O)O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MMP13 P45452 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR2 P41597 1/20 0.44
CMA1 P23946 1/20 0.44
CACNA1H O95180 1/20 0.44
PDE8B O95263 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
NPBWR1 P48145 2/20 0.43
LDHA P00338 1/20 0.43

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
SCHEMBL23294598 0.84 MMP13 (0.46) NPC1RAB9AL3MBTL1MMP13SMN1; SMN2
SCHEMBL16856707 0.82 HPGD (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
SCHEMBL16856712 0.81 KMT2A (0.46) RAB9AMMP13SMN1; SMN2KMT2ACACNA1H
SCHEMBL16856737 0.81 PKM (0.51) L3MBTL1SMN1; SMN2RPA1
SCHEMBL16856705 0.79 ALDH1A1 (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
SCHEMBL1912587 0.77 NPC1 (0.57) NPC1RAB9AL3MBTL1MMP13SMN1; SMN2
SCHEMBL16856759 0.77 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22816673 0.76 ALOX15 (0.56) L3MBTL1SMN1; SMN2MEN1KMT2APDE8B
SCHEMBL24569502 0.75 MAPK8 (0.44) NPC1RAB9AL3MBTL1MMP13SMN1; SMN2
SCHEMBL21248338 0.73 ALOX15 (0.56) L3MBTL1SMN1; SMN2MEN1KMT2APDE8B

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 8 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

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 NPC1 1274/4885RAB9A 2656/4885L3MBTL1 4702/4885

“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.