SCHEMBL1480504

SCHEMBL1480504

CCn1cc(-c2ccc(Cl)cc2)nc1C=Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TLR8 Q9NR97 1/20 0.41
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
SIRT5 Q9NXA8 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
APP P05067 1/20 0.35
PAX8 Q06710 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
PIK3CA P42336 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
SCHEMBL1480499 1.00 ALDH1A1 (0.44) ALDH1A1TLR8MGAMGAASI
SCHEMBL6532905 1.00 ALDH1A1 (0.44) ALDH1A1TLR8MGAMGAASI
SCHEMBL6532903 1.00 ALDH1A1 (0.44) ALDH1A1TLR8MGAMGAASI
SCHEMBL1481444 0.88 NPC1 (0.43) ALDH1A1TLR8GAAMAPTKDM4E
SCHEMBL1481442 0.88 NPC1 (0.43) ALDH1A1TLR8GAAMAPTKDM4E
SCHEMBL1480985 0.86 TLR8 (0.41) ALDH1A1TLR8MAPTKDM4ECYP1A2
SCHEMBL1480989 0.86 TLR8 (0.41) ALDH1A1TLR8MAPTKDM4ECYP1A2
SCHEMBL1480865 0.85 ERBB2 (0.46) TLR8
SCHEMBL6529127 0.85 TLR8 (0.44) ALDH1A1TLR8MAPTKDM4ECYP1A2
SCHEMBL1480879 0.85 ERBB2 (0.37) ALDH1A1TLR8GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ ALDH1A1 710/4885TLR8 2695/4885MGAM 404/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ ALDH1A1 710/4885TLR8 2695/4885MGAM 404/4885

“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.