SCHEMBL6741816

SCHEMBL6741816

COc1cc(C)cc(OC)c1-c1nc(N)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 4/20 0.56
ALDH1A1 P00352 5/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.38
ALPL P05186 1/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
CRHR1 P34998 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL1528331 0.73 KDM4E (1.00) KDM4ETSHRPOLBHSD17B10ALDH1A1
SCHEMBL18284865 0.67 HSD17B10 (0.53) KDM4ETSHRPOLBHSD17B10ALDH1A1
SCHEMBL2493952 0.66 KDM4E (0.58) KDM4ETSHRPOLBHSD17B10ALDH1A1
SCHEMBL5792174 0.66 ALPL (0.67) KDM4ETSHRPOLBHSD17B10ALDH1A1
SCHEMBL5789379 0.66 KDM4E (1.00) KDM4ETSHRPOLBHSD17B10ALDH1A1
SCHEMBL5028318 0.65 ACHE (0.59) TSHRPOLBHSD17B10ALDH1A1GAA
SCHEMBL8894861 0.64 MEN1 (0.54) KDM4EPOLBHSD17B10ALDH1A1GAA
SCHEMBL5924532 0.64 KDM4E (0.62) KDM4ETSHRPOLBHSD17B10ALDH1A1
SCHEMBL9084539 0.63 ADORA3 (0.40) ALDH1A1ACHECRHR1CYP3A4
Hydrochloric Acid SCHEMBL8706033 0.63 ACHE (0.56) TSHRPOLBHSD17B10ALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043995-A1 Novel triazole derivatives, process for their preparation and pharmaceutical compositions containing them BIGNON ERIC (FR) 2004-03-04 US disclosed
EP-0984960-B1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI SYNTHELABO (FR) 2003-02-05 EP disclosed
EP-0984960-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 2000-03-15 EP disclosed
WO-1998051686-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 1998-11-19 WO 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-20040043995-A1 Novel triazole derivatives, process for their preparation and pharmaceutical compositions containing them CCKAR, CCKBR, NPY1R KDM4E 1971/4885TSHR 197/4885POLB 4752/4885

“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.