SCHEMBL939162

SCHEMBL939162

COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DGAT1 O75907 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP2C9 P11712 2/20 0.43
F10 P00742 1/20 0.43
BRD4 O60885 1/20 0.42
FPR1 P21462 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MLLT1 Q03111 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11888794 0.92 MAPT (0.45) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL938645 0.91 NPSR1 (0.50) ALDH1A1MAPTMAPK1SMN1; SMN2DGAT1
SCHEMBL938582 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL11947876 0.84 KDM4E (0.49) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL1017834 0.83 APEX1 (0.50) ALDH1A1MAPTMAPK1DGAT1CYP2C9
SCHEMBL938165 0.80 BDKRB1 (0.37) MAPTSMN1; SMN2
SCHEMBL939207 0.80 MAPT (0.47) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL937980 0.79 BDKRB1 (0.38) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL938746 0.78 KDM4E (0.52) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL938731 0.78 CYP3A4 (0.54) ALDH1A1MAPK1SMN1; SMN2GAACYP2C9

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 6 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-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
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
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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 ALDH1A1 1533/4885LMNA 2065/4885HTT 613/4885

“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.