SCHEMBL16856764

SCHEMBL16856764

Fc1ccc(Cn2nc(Cl)c(Br)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
GRM2 Q14416 1/20 0.41
MITF O75030 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC6 Q9UBN7 5/20 0.39
HDAC1 Q13547 4/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
SLC2A1 P11166 1/20 0.38
CACNA1H O95180 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37

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
SCHEMBL15242943 0.89 KMT2A (0.47) KMT2AGRM2MITFPKMHTT
SCHEMBL16856726 0.85 LMNA (0.41) KMT2AGRM2PKMCYP11B1CYP11B2
SCHEMBL16856696 0.82 GRM2 (0.47) KMT2AGRM2RAB9ACYP11B1CYP11B2
SCHEMBL17015175 0.82 SMN1; SMN2 (0.41) KMT2AHTTRAB9AHDAC6HDAC1
SCHEMBL16856698 0.81 CYP19A1 (0.48) KMT2AGRM2HTTRAB9ANPSR1
SCHEMBL16856712 0.77 KMT2A (0.46) KMT2AMITFPKMHTTRAB9A
SCHEMBL15243031 0.75 KMT2A (0.45) KMT2AGRM2HTTRAB9ANPSR1
SCHEMBL16856766 0.75 SIGMAR1 (0.46) HTTCYP11B1CYP11B2TP53MAPT
SCHEMBL15243035 0.72 CYP11B1 (0.46) KMT2AGRM2PKMHTTNPSR1
SCHEMBL9304572 0.72 RAB9A (0.51) KMT2AGRM2HTTRAB9ANPSR1

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 KMT2A 1660/4885GRM2 1922/4885MITF 3859/4885

“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.