SCHEMBL4157352

SCHEMBL4157352

O=C(O)N1CCCC[C@H]1Cc1nc2ccccn2c1I

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DAGLA Q9Y4D2 7/20 0.38
ABHD6 Q9BV23 6/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL4159081 0.87 KDM4E (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2123536 0.85 METTL3 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4170825 0.82 DPP4 (0.39) MEN1KMT2ANPC1RAB9ADAGLA
SCHEMBL3472074 0.82 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8146332 0.80 NPC1 (0.35) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4163082 0.75 KDM4E (0.54) ALDH1A1DAGLAABHD6KDM4EHSD17B10
SCHEMBL27808115 0.75 KDM4E (0.54) ALDH1A1DAGLAABHD6KDM4EHSD17B10
SCHEMBL2124328 0.73 METTL3 (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3470606 0.72 ALDH1A1 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4629395 0.72 HSD11B1 (0.61) MEN1KMT2ANPC1RAB9ADAGLA

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-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 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-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 MEN1 1727/4885KMT2A 3634/4885ALDH1A1 125/4885

“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.