SCHEMBL1083103

SCHEMBL1083103

CCCCCc1nncn1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.40
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
TBXAS1 P24557 1/20 0.34
POLB P06746 1/20 0.34
AMPD1 P23109 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
AMPD2 Q01433 1/20 0.34
SSTR4 P31391 1/20 0.34
LMNA P02545 1/20 0.33
SLC9A1 P19634 1/20 0.33
MIF P14174 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28114461 0.98 TLR8 (0.39) TLR8HSD11B1ALDH1A1TBXAS1AMPD1
SCHEMBL5274280 0.91 ALDH1A1 (0.39) TLR8HSD11B1ALDH1A1KMT2APOLB
SCHEMBL5278999 0.87 ALDH1A1 (0.39) TLR8ALDH1A1KMT2APOLBAMPD2
SCHEMBL12020590 0.87 SPNS2 (0.38) HSD11B1ALDH1A1TBXAS1TDP1LMNA
SCHEMBL5283248 0.81 ALDH1A1 (0.40) TLR8ALDH1A1KMT2APOLBAMPD2
SCHEMBL5277565 0.81 ALDH1A1 (0.36) HSD11B1ALDH1A1KMT2APOLB
SCHEMBL5279872 0.79 ADORA2A (0.33) HSD11B1SSTR4LMNA
SCHEMBL5657308 0.78 AMPD2 (0.38) TLR8ALDH1A1KMT2APOLBAMPD1
SCHEMBL25939122 0.77 ALDH1A1 (0.44) TLR8ALDH1A1KMT2ATBXAS1POLB
Hydrochloric Acid SCHEMBL5654434 0.76 ALDH1A1 (0.37) TLR8ALDH1A1KMT2APOLBAMPD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
US-5278180-A 4,5-bis(aryl) 4H-1,2,4-triazoles derivatives and analgesic use ROUSSEL UCLAF (FR) 1994-01-11 US disclosed
US-4512997-A 4,5-Bis(aryl)-4H-1,2,4-triazole derivatives and analgesic use ROUSSEL UCLAF (FR) 1985-04-23 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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 TLR8 3229/4885HSD11B1 1193/4885ALDH1A1 2522/4885

“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.