SCHEMBL9968308

SCHEMBL9968308

C=S(C)(=O)C1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD11B1 P28845 2/20 0.41
SMO Q99835 2/20 0.41
FAAH O00519 1/20 0.40
EPHX2 P34913 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
GRM2 Q14416 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL9968480 0.92 LRRK2 (0.47) MEN1KMT2ACA1CA2HSD11B1
SCHEMBL9968321 0.86 HSD11B1 (0.47) MEN1KMT2ACA1CA2HSD11B1
SCHEMBL9968310 0.85 SMO (0.46) MEN1KMT2ACA1CA2HSD11B1
SCHEMBL9968315 0.85 SMO (0.58) MEN1KMT2ACA1CA2SMO
SCHEMBL9968316 0.84 MEN1 (0.51) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL9932266 0.84 MEN1 (0.58) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL9932249 0.83 HSD11B1 (0.48) MEN1KMT2ACA1CA2HSD11B1
SCHEMBL9931742 0.83 MEN1 (0.50) MEN1KMT2ASMOLRRK2ALDH1A1
SCHEMBL9968318 0.82 SMO (0.48) SMO
SCHEMBL9968309 0.81 MEN1 (0.55) MEN1KMT2ACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 MEN1 1168/4885KMT2A 310/4885CA1 3161/4885

“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.