SCHEMBL4081644

SCHEMBL4081644

NC(=O)c1ccc(C(=O)NOC2CCCCO2)cc1-c1cccc(Nc2nc(-c3cccnc3)cs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.50
KMT2A Q03164 10/20 0.50
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GAA P10253 1/20 0.41
VCP P55072 1/20 0.41
SYK P43405 1/20 0.40
MAPT P10636 4/20 0.39

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
Water SCHEMBL4087657 0.89 GAA (0.46) MEN1KMT2ARAB9ANPC1ABL1
SCHEMBL4081647 0.88 NPC1 (0.56) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL4079836 0.79 ABL1 (0.56) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL4079841 0.79 ABL1 (0.56) MEN1KMT2ARAB9ANPC1PKM
Water SCHEMBL4087659 0.78 ABL1 (0.60) MEN1KMT2AALDH1A1ABL1BCR
SCHEMBL4080309 0.75 ABL1 (0.54) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL4080315 0.75 ABL1 (0.54) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL206114 0.73 MEN1 (0.81) MEN1KMT2ARAB9ANPC1PKM
Water SCHEMBL4092233 0.73 NPC1 (0.56) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL4090797 0.72 MEN1 (0.64) MEN1KMT2ARAB9ANPC1PKM

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 318/4885RAB9A 2184/4885

“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.