SCHEMBL1480972

SCHEMBL1480972

CCCCn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.42
HSD11B1 P28845 2/20 0.41
PTGES O14684 1/20 0.38
DPP4 P27487 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1480970 1.00 TLR8 (0.42) TLR8HSD11B1PTGESDPP4CYP3A4
SCHEMBL1481901 0.89 TLR8 (0.43) TLR8DPP4LMNAMAPT
SCHEMBL1481899 0.89 TLR8 (0.43) TLR8DPP4LMNAMAPT
SCHEMBL1481741 0.86 TLR8 (0.43) TLR8DPP4NPC1RAB9ALMNA
SCHEMBL1481407 0.86 ATP4A (0.45) TLR8LMNATP53MAPTSMN1; SMN2
SCHEMBL1481410 0.86 ATP4A (0.45) TLR8LMNATP53MAPTSMN1; SMN2
SCHEMBL1481743 0.86 TLR8 (0.43) TLR8DPP4NPC1RAB9ALMNA
SCHEMBL1480837 0.84 FFAR1 (0.42) CYP2C9
SCHEMBL1480840 0.84 FFAR1 (0.42) CYP2C9
SCHEMBL1480852 0.83 DPP4 (0.42) TLR8DPP4NPC1RAB9ACNR2

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 TLR8 2695/4885HSD11B1 559/4885PTGES 1684/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ TLR8 2695/4885HSD11B1 559/4885PTGES 1684/4885

“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.