SCHEMBL940608

SCHEMBL940608

OB(O)c1ccnc(OCCN2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SIGMAR1 Q99720 9/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.42

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
SCHEMBL2560110 0.80 SIGMAR1 (0.45) KDM4EALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL3398936 0.80 SIGMAR1 (0.48) KDM4EALDH1A1SIGMAR1TSHRKCNH2
SCHEMBL430014 0.80 POLB (0.53) SIGMAR1MEN1KMT2AKCNH2HTR2B
SCHEMBL1516726 0.78 TSHR (0.52) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL2555039 0.77 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL3118354 0.77 GAA (0.48) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL460929 0.76 SIGMAR1 (0.46) KDM4EALDH1A1SIGMAR1TSHRKCNH2
SCHEMBL445617 0.76 HRH2 (0.51) KDM4EALDH1A1SIGMAR1TSHRCYP1A2
SCHEMBL942887 0.76 SIGMAR1 (0.44) ALDH1A1SIGMAR1MEN1KMT2AKCNH2
SCHEMBL460928 0.76 KDM4E (0.45) KDM4EALDH1A1SIGMAR1MEN1KMT2A

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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
EP-2268612-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS Novartis AG (CH) 2011-01-05 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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 KDM4E 1013/4885ALDH1A1 715/4885SIGMAR1 4238/4885

“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.