SCHEMBL16856726

SCHEMBL16856726

Clc1nn(Cc2ccc(Br)cc2)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 1/20 0.41
GRM2 Q14416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
GALR3 O60755 2/20 0.36
GAA P10253 1/20 0.36
NPY1R P25929 1/20 0.36
STAT3 P40763 1/20 0.36
NPY2R P49146 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL15243035 0.88 CYP11B1 (0.46) LMNACYP11B1CYP11B2CYP19A1GRM2
SCHEMBL16856764 0.85 KMT2A (0.46) CYP11B1CYP11B2CYP19A1GRM2PKM
SCHEMBL17015175 0.85 SMN1; SMN2 (0.41) LMNACYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL16856698 0.85 CYP19A1 (0.48) LMNACYP19A1GRM2ALDH1A1L3MBTL1
SCHEMBL16856705 0.81 ALDH1A1 (0.45) LMNACYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL16856737 0.80 PKM (0.51) LMNACYP19A1ALDH1A1PKML3MBTL1
SCHEMBL16856742 0.79 CYP11B1 (0.41) LMNACYP11B1CYP11B2CYP19A1GRM2
SCHEMBL15243031 0.78 KMT2A (0.45) LMNACYP11B1CYP11B2CYP19A1GRM2
SCHEMBL16856766 0.78 SIGMAR1 (0.46) LMNACYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL16856696 0.75 GRM2 (0.47) CYP11B1CYP11B2GRM2ALDH1A1L3MBTL1

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 LMNA 4095/4885CYP11B1 27/4885CYP11B2 11/4885

“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.