SCHEMBL14612980

SCHEMBL14612980

Cc1ccccc1N=Nc1ccc(NC(N)=O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.62
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
SIGMAR1 Q99720 6/20 0.47
GRIN2D O15399 4/20 0.47
GRIN3B O60391 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
GRIN2B Q13224 4/20 0.47

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
SCHEMBL26104727 0.89 KMT2A (0.64) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL23259385 0.89 KMT2A (0.64) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL14130404 0.86 AHR (0.66) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL14130007 0.86 AHR (0.66) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL13609820 0.85 AHR (0.58) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL14582011 0.85 AHR (0.58) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL14130403 0.84 AHR (0.64) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL20762595 0.81 AHR (0.66) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL14582010 0.81 AHR (0.60) AHRTSHRTP53CYP3A4MAPK1
SCHEMBL20762684 0.80 AHR (0.59) AHRTSHRTP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032458-A1 Compound having activity for inhibiting dioxin toxicity, pharmaceutical composition comprising the compound and method for treating disease resulting from dioxin toxicity using the compound POSTECH FOUNDATION (KR) 2007-02-08 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-20070032458-A1 Compound having activity for inhibiting dioxin toxicity, pharmaceutical composition comprising the compound and method for treating disease resulting from dioxin toxicity using the compound CORO1C, DECR1, DECR2 AHR 5/4885TSHR 208/4885TP53 4301/4885

“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.