SCHEMBL1480607

SCHEMBL1480607

CCn1cc(-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)nc1/C=C/c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
TLR8 Q9NR97 1/20 0.41
RELA Q04206 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL1480611 1.00 AHR (0.48) AHRTLR8RELAHDAC3HDAC4
SCHEMBL1481807 0.85 MEN1 (0.44) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1481804 0.85 MEN1 (0.44) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1480187 0.84 DPP4 (0.43) AHRRELAHDAC3HDAC4HDAC1
SCHEMBL1480190 0.84 DPP4 (0.43) AHRRELAHDAC3HDAC4HDAC1
SCHEMBL6529126 0.84 TLR8 (0.44) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1481515 0.84 TLR8 (0.44) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6529127 0.84 TLR8 (0.44) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1481511 0.84 TLR8 (0.44) TLR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1480782 0.80 RELA (0.42) AHRRELAALDH1A1KDM4ENPC1

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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (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 AHR 1771/4885TLR8 2695/4885RELA 3971/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ AHR 1771/4885TLR8 2695/4885RELA 3971/4885

“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.