SCHEMBL16856748

SCHEMBL16856748

O=C(O)c1nn(Cc2cccc(F)c2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
MMP13 P45452 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
PTGER4 P35408 2/20 0.43
CNR1 P21554 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX5AP P20292 1/20 0.42
SCD O00767 2/20 0.42
SCD5 Q86SK9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RY14 Q15391 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL16856707 0.85 HPGD (0.50) KMT2ANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16856712 0.84 KMT2A (0.46) KMT2AMMP13RAB9ASMN1; SMN2PTGER4
SCHEMBL16856696 0.80 GRM2 (0.47) KMT2ANPC1RAB9ASMN1; SMN2CNR1
SCHEMBL16856737 0.76 PKM (0.51) SMN1; SMN2L3MBTL1
SCHEMBL16856759 0.74 RAB9A (0.41) KMT2ANPC1RAB9ASMN1; SMN2P2RY14
SCHEMBL16856713 0.73 HPGD (0.47) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16856769 0.72 NPC1 (0.47) KMT2AMMP13NPC1RAB9ASMN1; SMN2
SCHEMBL2368039 0.72 KDM4E (0.50) NPC1RAB9ASMN1; SMN2PTGER4P2RY14
SCHEMBL9304138 0.71 TSHR (0.54) KMT2ANPC1RAB9ASMN1; SMN2ALOX5AP
SCHEMBL15242938 0.71 GRM2 (0.52) KMT2ANPC1RAB9ASMN1; SMN2L3MBTL1

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 1660/4885MMP13 2949/4885NPC1 1274/4885

“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.