SCHEMBL16856775

SCHEMBL16856775

Cn1nc(Cl)c(C(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2186183 0.83 ALDH1A1 (0.35) HCAR2TDP1PKMCYP2C9SMN1; SMN2
SCHEMBL17627086 0.73 ALDH1A1 (0.35) TDP1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL18838974 0.73 MCL1 (0.31) HCAR2ALDH1A1NPC1HPGDTSHR
SCHEMBL16856709 0.72 NPC1 (0.43) HCAR2TDP1PKMHSD17B10SMN1; SMN2
SCHEMBL1930032 0.70 NPSR1 (0.48) KMT2ACYP2C9CYP2C19HSD17B10SMN1; SMN2
SCHEMBL3781467 0.68 MEN1 (0.33) MEN1KMT2A
SCHEMBL936108 0.68 GLA (0.37) PKMMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8308094 0.67 POLB (0.59) HCAR2TDP1PKMMEN1KMT2A
SCHEMBL4767678 0.66 KDM4E (0.49) MEN1KMT2AHSD17B10SMN1; SMN2LMNA
SCHEMBL982875 0.65 LMNA (0.53) MEN1KMT2AHSD17B10SMN1; SMN2LMNA

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 11 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
CN-102786485-B 2-substituted-2H-1,2,3-triazole derivative and preparation method thereof ABA CHEMICALS CORP 2014-11-26 CN disclosed
CN-102786485-A 2-substituted-2H-1,2,3-triazole derivative and preparation method thereof SUZHOU ABA CHEMICALS CORP 2012-11-21 CN 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 HCAR2 375/4885TDP1 1800/4885PKM 4038/4885

“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.