SCHEMBL3354023

SCHEMBL3354023

Clc1ccc(-c2nn[nH]c2-c2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
HSD11B1 P28845 2/20 0.43
ALPL P05186 4/20 0.43
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
AHR P35869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MARS1 P56192 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13307709 0.79 NOTUM (0.44) HPGDMAPTHSD11B1ALPLGAA
SCHEMBL21843232 0.77 ALPL (0.43) HPGDMAPTHSD11B1ALPLTP53
SCHEMBL4080406 0.71 DPP4 (0.46) HPGDMAPTHSD11B1TP53ALDH1A1
SCHEMBL3949786 0.71 GUSB (0.43) HPGDMAPTHSD11B1TP53ALDH1A1
SCHEMBL18004383 0.69 MARS1 (0.44) ALPLAHRMARS1
SCHEMBL705941 0.69 HSD11B1 (0.44) HPGDMAPTHSD11B1ALPLTP53
SCHEMBL7041005 0.69 HSD11B1 (0.45) HPGDMAPTHSD11B1ALDH1A1
SCHEMBL29624840 0.68 AHR (0.64) MAPTHSD11B1TP53ALDH1A1RAB9A
SCHEMBL464507 0.68 AHR (0.64) MAPTHSD11B1TP53ALDH1A1RAB9A
SCHEMBL29186020 0.67 NPBWR1 (0.35) HPGDHSD11B1ALPLRAB9AMARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293773-B2 1, 2, 3-triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-23 US disclosed
US-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2010-06-10 US 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-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists CNR1, CNR2, GPR3 HPGD 1891/4885MAPT 2428/4885HSD11B1 1697/4885

“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.