SCHEMBL14582012

SCHEMBL14582012

CCCCNC(=O)Nc1ccc(N=Nc2ccccc2C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.53
POLB P06746 1/20 0.50
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.43
EPHX1 P07099 3/20 0.42
EPHX2 P34913 1/20 0.41
ITGB1 P05556 1/20 0.40

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 0.79 KMT2A (0.64) AHRPOLBKMT2AALDH1A1MEN1
SCHEMBL14612980 0.79 AHR (0.62) AHRPOLBKMT2AALDH1A1MEN1
SCHEMBL23259385 0.79 KMT2A (0.64) AHRPOLBKMT2AALDH1A1MEN1
SCHEMBL14582011 0.78 AHR (0.58) AHRPOLBKMT2AALDH1A1MEN1
SCHEMBL14130007 0.77 AHR (0.66) AHRPOLBKMT2AALDH1A1MEN1
SCHEMBL14130404 0.77 AHR (0.66) AHRPOLBKMT2AALDH1A1MEN1
SCHEMBL13609820 0.76 AHR (0.58) AHRKMT2AALDH1A1MEN1MAPT
SCHEMBL14130403 0.75 AHR (0.64) AHRPOLBKMT2AALDH1A1MEN1
SCHEMBL17079630 0.73 KMT2A (0.70) POLBKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6358792 0.73 KMT2A (0.54) POLBKMT2AALDH1A1MEN1MAPT

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 5/4885POLB 3661/4885KMT2A 2624/4885

“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.