SCHEMBL9931499

SCHEMBL9931499

Cn1c(-c2cc(N3CCN(S(=O)(=O)CC(C)(C)O)CC3)ncc2F)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.53
HSD11B1 P28845 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
RET P07949 2/20 0.36
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL9932768 0.90 KMT2A (0.47) SMOHSD11B1SMN1; SMN2DRD4GRM2
SCHEMBL9932792 0.88 SMO (0.51) SMOHSD11B1SMN1; SMN2DRD4GRM2
SCHEMBL9968434 0.86 KDM4E (0.48) SMOHSD11B1SMN1; SMN2DRD4GRM2
SCHEMBL1533871 0.85 SMO (0.47) SMOHSD11B1SMN1; SMN2DRD4GRM2
SCHEMBL1533860 0.84 SMO (0.50) SMOHSD11B1SMN1; SMN2DRD4GRM2
SCHEMBL1533937 0.82 HSD11B1 (0.43) SMOHSD11B1SMN1; SMN2DRD4GRM2
SCHEMBL1533906 0.80 KMT2A (0.46) SMOSMN1; SMN2DRD4GRM2KMT2A
SCHEMBL9932321 0.80 SMO (0.47) SMOSMN1; SMN2KMT2AGAAKDM4E
SCHEMBL9932811 0.79 CKS1B (0.47) SMODRD4GRM2KMT2AGAA
SCHEMBL9968527 0.79 SMO (0.49) SMODRD4GRM2KMT2AGAA

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 4 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
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 1/4885HSD11B1 3610/4885SMN1; SMN2 1175/4885

“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.