SCHEMBL4663216

SCHEMBL4663216

CC(=O)N(C)c1cc2c(nc(C)n2C)c(O)c1CCC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 7/20 0.33
HPGD P15428 3/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITK Q08881 2/20 0.31
INSR P06213 1/20 0.31
HTR5A P47898 1/20 0.31

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 0.83 KMT2A (0.35) DHFRKMT2AHSD11B1HPGDRAB9A
SCHEMBL4964916 0.79 RAB9A (0.34) KMT2AHSD11B1HPGDRAB9AGAA
SCHEMBL4664575 0.78 KMT2A (0.41) KMT2AHPGDRAB9AGAAALDH1A1
SCHEMBL4964193 0.77 KMT2A (0.37) KMT2AALDH1A1POLB
SCHEMBL4963473 0.74 SMN1; SMN2 (0.41) KMT2AHPGDRAB9AALDH1A1NPC1
SCHEMBL4964535 0.73 PDK1 (0.35) HSD11B1RAB9AGAAALDH1A1NPC1
SCHEMBL4963781 0.72 CTNNB1 (0.35) KMT2AHPGDRAB9AGAAALDH1A1
SCHEMBL4664854 0.71 KMT2A (0.34) DHFRKMT2AHSD11B1HPGDRAB9A
SCHEMBL4663226 0.71 KMT2A (0.33) DHFRKMT2AHSD11B1HPGDRAB9A
SCHEMBL4965054 0.71 HCRTR1 (0.32) POLB

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 DHFR 619/4885KMT2A 3220/4885HSD11B1 967/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI DHFR 3289/4885KMT2A 4735/4885HSD11B1 2384/4885

“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.