SCHEMBL9932004

SCHEMBL9932004

C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(-c2nc3ccccc3n2C)c(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.43
GSK3B P49841 1/20 0.40
HSD11B1 P28845 2/20 0.40
SUV39H2 Q9H5I1 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCND3 P30281 2/20 0.37
CDK6 Q00534 2/20 0.37
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
CHEK1 O14757 2/20 0.37
ATR Q13535 2/20 0.37
ATRIP Q8WXE1 2/20 0.37
PDE10A Q9Y233 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL9933004 1.00 SMO (0.43) SMOGSK3BHSD11B1SUV39H2FAAH
SCHEMBL9968441 0.93 SMO (0.39) SMOHSD11B1FAAHEPHX2MEN1
SCHEMBL9968395 0.93 SMO (0.39) SMOHSD11B1FAAHEPHX2MEN1
SCHEMBL9932631 0.85 SMO (0.59) SMOHSD11B1MEN1KMT2ASMN1; SMN2
SCHEMBL9931427 0.84 SMO (0.43) SMOGSK3BSUV39H2FAAHEPHX2
SCHEMBL12841512 0.84 SMO (0.43) SMOGSK3BSUV39H2FAAHEPHX2
SCHEMBL9931946 0.84 SMO (0.43) SMOGSK3BSUV39H2FAAHEPHX2
SCHEMBL9932782 0.82 SMO (0.43) SMOHSD11B1SUV39H2MEN1KMT2A
SCHEMBL9968408 0.82 SMO (0.38) SMOMEN1KMT2APDE10A
SCHEMBL9968457 0.82 SMO (0.38) SMOMEN1KMT2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 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 (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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 SMO 1/4885GSK3B 1230/4885HSD11B1 3610/4885

“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.