SCHEMBL15501937

SCHEMBL15501937

CCc1[nH]c(C(=O)Nc2ccc3c(c2)OCCN3Cc2ccc(C(O)O)cc2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.40
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
RAB9A P51151 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 4/20 0.36
TP53 P04637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 6/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL2827072 0.89 TOP2A (0.42) TOP2ANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2822035 0.88 SMN1; SMN2 (0.42) TOP2ANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2823787 0.84 ROCK2 (0.45) TOP2ANPC1SMN1; SMN2RAB9ATP53
SCHEMBL2825202 0.83 TP53 (0.38) TOP2ANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2822824 0.82 SIRT1 (0.40) TOP2ANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2825218 0.78 L3MBTL1 (0.41) TOP2ANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2822912 0.77 TOP2A (0.41) TOP2ANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2825349 0.75 MAPT (0.40) TOP2ANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2830031 0.66 TOP2A (0.46) TOP2ANPC1RAB9AHDAC1
SCHEMBL23768824 0.63 NPC1 (0.44) NPC1SMN1; SMN2RAB9ALMNATP53

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-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 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-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TOP2A 3/4885NPC1 630/4885SMN1; SMN2 3604/4885

“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.