SCHEMBL179244

SCHEMBL179244

N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5ccc(C#N)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.34
ENPP2 Q13822 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
CA1 P00915 1/20 0.32
TSHR P16473 1/20 0.31
PGR P06401 1/20 0.31
CYP19A1 P11511 2/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL179175 0.94 TSHR (0.39) CA2LMNAABCG2CA1TSHR
SCHEMBL25585717 0.94 TSHR (0.39) CA2LMNAABCG2CA1TSHR
SCHEMBL30666022 0.94 TSHR (0.39) CA2LMNAABCG2CA1TSHR
SCHEMBL15137916 0.94 ALDH1A1 (0.37) CYP2A6ALDH1A1CA2KDM4EGAA
SCHEMBL15137879 0.92 PTGDR2 (0.39) CYP2A6ENPP2ALDH1A1KDM4EGAA
SCHEMBL179171 0.92 ALDH1A1 (0.48) CYP2A6ALDH1A1KDM4EGAALMNA
SCHEMBL15137913 0.89 CRHBP (0.37) ALDH1A1CA2LMNAABCG2CA1
SCHEMBL10358983 0.89 ABCG2 (0.40) ABCG2TSHRPGRMEN1KMT2A
SCHEMBL12640426 0.88 PGR (0.37) TSHRPGRHRH3MMP3PTGDR2
SCHEMBL179245 0.88 PANK3 (0.32) CYP2A6ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 CYP2A6 1167/4885ENPP2 1971/4885ALDH1A1 61/4885

“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.