SCHEMBL11947876

SCHEMBL11947876

COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3c(C)cccc3C(F)(F)F)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BRD4 O60885 1/20 0.38
CYP2C9 P11712 2/20 0.38
CHEK2 O96017 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
CACNA1H O95180 1/20 0.37
MLLT1 Q03111 1/20 0.36

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
SCHEMBL938582 0.87 ALDH1A1 (0.42) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL938746 0.87 KDM4E (0.52) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL939162 0.84 ALDH1A1 (0.46) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL939207 0.78 MAPT (0.47) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL11888794 0.77 MAPT (0.45) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1006418 0.77 NPSR1 (0.47) ALDH1A1MAPK1SMN1; SMN2HDAC3HDAC7
SCHEMBL941269 0.77 NPSR1 (0.47) ALDH1A1MAPK1SMN1; SMN2HDAC6CHEK2
SCHEMBL938645 0.75 NPSR1 (0.50) ALDH1A1MAPTMAPK1SMN1; SMN2CYP2C9
SCHEMBL11947874 0.72 KMT2A (0.48) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL938412 0.71 BDKRB1 (0.38) KDM4EALDH1A1MAPK1

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-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 KDM4E 3005/4885ALDH1A1 1533/4885LMNA 2065/4885

“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.