SCHEMBL9968418

SCHEMBL9968418

C=S(C)(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
KDR P35968 3/20 0.41
PTK2 Q05397 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 1/20 0.39
PLK1 P53350 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 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
SCHEMBL9932110 0.91 HSD11B1 (0.48) HSD11B1SMN1; SMN2METAP2METAP1KDR
SCHEMBL9968414 0.84 HSD11B1 (0.47) HSD11B1SMN1; SMN2CA1CA2KMT2A
SCHEMBL9968321 0.82 HSD11B1 (0.47) HSD11B1SMN1; SMN2CA1CA2KMT2A
SCHEMBL12841343 0.80 METAP2 (0.44) HSD11B1SMN1; SMN2METAP2METAP1KDR
SCHEMBL9968417 0.80 METAP2 (0.44) SMN1; SMN2METAP2METAP1KDRPTK2
SCHEMBL9932520 0.80 MEN1 (0.48) SMN1; SMN2METAP2METAP1KDRPTK2
SCHEMBL1533907 0.79 HTR3A (0.49) METAP2METAP1KDRPTK2KMT2A
SCHEMBL9968297 0.77 SMO (0.50) HSD11B1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9931983 0.77 KMT2A (0.46) SMN1; SMN2METAP2METAP1KDRPTK2
SCHEMBL9931365 0.77 ALDH1A1 (0.48) SMN1; SMN2METAP2METAP1KDRPTK2

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 HSD11B1 3610/4885SMN1; SMN2 1175/4885METAP2 4661/4885

“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.