SCHEMBL2734565

SCHEMBL2734565

[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CRHBP P24387 1/20 0.49
ATM Q13315 1/20 0.49
CRHR2 Q13324 1/20 0.49
TLR9 Q9NR96 1/20 0.49
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
PGR P06401 1/20 0.41
MAPT P10636 6/20 0.40
THRB P10828 1/20 0.40
VCAM1 P19320 3/20 0.40
FBP1 P09467 2/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
MMP14 P50281 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2734050 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL31257790 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL13037674 0.84 CYP2A6 (0.38) MEN1KMT2AALDH1A1PGRFBP1
SCHEMBL13720708 0.79 TSHR (0.43) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL57257 0.78 VCAM1 (0.61) MEN1KMT2AALDH1A1KCNJ1KCNH2
SCHEMBL16089350 0.78 VCAM1 (0.61) MEN1KMT2AALDH1A1KCNJ1KCNH2
SCHEMBL2273860 0.78 ALDH1A1 (0.50) ALDH1A1MAPTFBP1NPC1TDP1
SCHEMBL2734058 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1PGRMAPTTDP1
SCHEMBL2734385 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1PGRMAPTTDP1
SCHEMBL8328528 0.77 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1CRHBP

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-8088932-B2 Pentaaryldiamine-containing bismaleimide compound and method of producing the compound INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-03 US disclosed
US-20100168442-A1 PENTAARYLDIAMINE-CONTAINING BISMALEIMIDE COMPOUND AND PRODUCING METHOD THEREOF INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-07-01 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-20100168442-A1 PENTAARYLDIAMINE-CONTAINING BISMALEIMIDE COMPOUND AND PRODUCING METHOD THEREOF ACMSD, ALDH7A1, ADSL MEN1 1229/4885KMT2A 4356/4885ALDH1A1 177/4885

“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.