SCHEMBL9932768

SCHEMBL9932768

CCS(=O)(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.42
GRM2 Q14416 2/20 0.41
DRD4 P21917 1/20 0.41
SMO Q99835 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL9968434 0.94 KDM4E (0.48) KMT2AHSD11B1KDM4EMAPTALDH1A1
SCHEMBL9932792 0.92 SMO (0.51) KMT2AHSD11B1KDM4EMAPTALDH1A1
SCHEMBL1533871 0.91 SMO (0.47) HSD11B1ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL1533860 0.90 SMO (0.50) KMT2AHSD11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9931499 0.90 SMO (0.53) KMT2AHSD11B1KDM4EMAPTALDH1A1
SCHEMBL9932106 0.88 SMO (0.48) KMT2AHSD11B1KDM4EMAPTALDH1A1
SCHEMBL1533937 0.87 HSD11B1 (0.43) KMT2AHSD11B1KDM4EMAPTALDH1A1
SCHEMBL9932811 0.84 CKS1B (0.47) KMT2AKDM4EMAPTALDH1A1GAA
SCHEMBL9931814 0.83 SMO (0.49) HSD11B1KDM4EMAPTGAASMO
SCHEMBL1533906 0.83 KMT2A (0.46) KMT2AKDM4EMAPTALDH1A1SMN1; SMN2

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 KMT2A 310/4885HSD11B1 3610/4885KDM4E 258/4885

“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.