SCHEMBL4090797

SCHEMBL4090797

NC(=O)c1ccc(C(=O)Nc2cccc(Nc3nc(-c4cccnc4)cs3)c2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
NPC1 O15118 7/20 0.62
RAB9A P51151 6/20 0.62
PKM P14618 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK1 P28482 2/20 0.54
ABL1 P00519 4/20 0.54
HDAC3 O15379 2/20 0.54
PDGFRB P09619 2/20 0.54
KDR P35968 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54

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
SCHEMBL4087632 0.88 ABL1 (0.66) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL4090805 0.86 ABL1 (0.71) MEN1KMT2ANPC1RAB9APKM
Water SCHEMBL4092233 0.86 NPC1 (0.56) MEN1KMT2ANPC1RAB9APKM
SCHEMBL4086283 0.85 NPC1 (0.74) MEN1KMT2ANPC1RAB9APKM
SCHEMBL4077558 0.82 NPC1 (0.68) MEN1KMT2ANPC1RAB9APKM
SCHEMBL8470941 0.82 HDAC1 (0.73) MEN1KMT2ANPC1RAB9APKM
Water SCHEMBL4092234 0.81 HDAC1 (0.72) MEN1KMT2ANPC1RAB9APKM
SCHEMBL206114 0.80 MEN1 (0.81) MEN1KMT2ANPC1RAB9APKM
Water SCHEMBL3810741 0.80 NPC1 (0.63) MEN1KMT2ANPC1RAB9APKM
SCHEMBL7540052 0.80 MAPK1 (0.84) MEN1KMT2ANPC1RAB9APKM

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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 MEN1 2479/4885KMT2A 318/4885NPC1 3094/4885

“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.