SCHEMBL10038744

SCHEMBL10038744

[C-]#[N+]c1ccc(N(c2ccccc2)c2c(C)cc3ccc4c(N(c5ccccc5)c5ccc(C#N)cc5)c(C)cc5ccc2c3c54)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
TXK P42681 1/20 0.30
ITK Q08881 1/20 0.30
KDM1A O60341 1/20 0.30
KCNN4 O15554 1/20 0.30
KCNA5 P22460 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10038745 0.94 PTGDR2 (0.30) PTGDR2
SCHEMBL10069233 0.91 CA1 (0.38) ABCG2KMT2AMEN1NPC1CA1
SCHEMBL10069238 0.84 PTGDR2 (0.34) ABCG2KMT2AMEN1NPC1CA1
SCHEMBL10038725 0.82 PTGDR2 (0.31) PTGDR2
SCHEMBL10038743 0.82 PTGDR2 (0.31) PTGDR2
SCHEMBL126369 0.81 CRHBP (0.33) ABCG2KMT2AMEN1NPC1PTGDR2
SCHEMBL10038681 0.81 CRHBP (0.32) ABCG2KMT2AMEN1NPC1PTGDR2
SCHEMBL10038742 0.80 CRHBP (0.31) ABCG2KMT2AMEN1NPC1PTGDR2
SCHEMBL13720708 0.78 TSHR (0.43) ABCG2KMT2AMEN1NPC1PTGDR2
SCHEMBL10038771 0.77 TSHR (0.35) ABCG2KMT2AMEN1NPC1CA1

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-20160181527-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-9331285-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-05-03 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 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 (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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 ABCG2 77/4885KMT2A 4602/4885MEN1 284/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 ABCG2 3032/4885KMT2A 200/4885MEN1 883/4885

“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.