SCHEMBL1480895

SCHEMBL1480895

CCOc1ccc(/C=C/c2nc(-c3ccc(Cl)c(Cl)c3Cl)c[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.42
APP P05067 1/20 0.39
ESR1 P03372 2/20 0.39
AHR P35869 1/20 0.39
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
PTGS2 P35354 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL1480899 1.00 RELA (0.42) RELAAPPESR1AHRMAPT
SCHEMBL1480230 0.85 MAPT (0.43) RELAAPPESR1AHRMAPT
SCHEMBL1480232 0.85 MAPT (0.43) RELAAPPESR1AHRMAPT
SCHEMBL1480461 0.83 MAPT (0.41) RELAAPPESR1AHRMAPT
SCHEMBL1480463 0.83 MAPT (0.41) RELAAPPESR1AHRMAPT
SCHEMBL12829211 0.80 MAOB (0.46) RELAAPPESR1AHRMAPT
SCHEMBL6531603 0.79 MAPT (0.38) RELAAPPESR1AHRMAPT
SCHEMBL6531606 0.79 MAPT (0.38) RELAAPPESR1AHRMAPT
SCHEMBL1481271 0.79 RELA (0.41) RELAAPPESR1AHRMAPT
SCHEMBL1481270 0.79 RELA (0.41) RELAAPPESR1AHRMAPT

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 3 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-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 RELA 3971/4885APP 4062/4885ESR1 3406/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ RELA 3971/4885APP 4062/4885ESR1 3406/4885

“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.