SCHEMBL4666499

SCHEMBL4666499

CN(C)C(=O)c1cc2c(nc(C(F)(F)F)n2C)c(O)c1CCC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 3/20 0.33
ACSS2 Q9NR19 1/20 0.32
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
CYP3A4 P08684 1/20 0.31
TACR1 P25103 1/20 0.31
MEN1 O00255 2/20 0.31
CTSK P43235 1/20 0.31
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
ERN1 O75460 1/20 0.30
HSD11B1 P28845 1/20 0.30
DHODH Q02127 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL4664618 0.86 KMT2A (0.35) KMT2AMEN1HPGDRAB9AHSD11B1
SCHEMBL4664854 0.85 KMT2A (0.34) KMT2AACSS2MEN1HPGDRAB9A
SCHEMBL4663226 0.84 KMT2A (0.33) KMT2AMEN1HPGDRAB9AHSD11B1
SCHEMBL4664660 0.83 NPC1 (0.33) TACR1CTSKRAB9A
SCHEMBL4664629 0.83 ALDH1A1 (0.41) KMT2AKEAP1NFE2L2HSD11B1
SCHEMBL4964235 0.80 CTNNB1 (0.37) RAB9A
SCHEMBL4964535 0.79 PDK1 (0.35) RAB9AHSD11B1PDK1PDK2PDK3
SCHEMBL4963473 0.77 SMN1; SMN2 (0.41) KMT2AHPGDRAB9APDK2PDK4
SCHEMBL4963781 0.76 CTNNB1 (0.35) CYP2C9CYP2C19CYP1A2CYP2D6KMT2A
SCHEMBL4965054 0.74 HCRTR1 (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO 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 (2 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR CYP2C9 69/4885CYP2C19 15/4885CYP1A2 116/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI CYP2C9 90/4885CYP2C19 24/4885CYP1A2 275/4885

“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.