SCHEMBL15218940

SCHEMBL15218940

Cc1ccc(C#C[Si](C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
GPR35 Q9HC97 1/20 0.41
KAT2B Q92831 2/20 0.38
VCAM1 P19320 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4464051 0.85 TSHR (0.47) TSHRCYP3A4GPR35KAT2BVCAM1
SCHEMBL2107697 0.83 VCAM1 (0.37) TSHRCYP3A4VCAM1MAPTALDH1A1
SCHEMBL6380480 0.83 S100A4 (0.40) GPR35VCAM1SMN1; SMN2KDM4E
SCHEMBL30413307 0.83 ALDH1A1 (0.51) TSHRCYP3A4VCAM1MEN1MAPT
SCHEMBL17875627 0.83 ALDH1A1 (0.51) TSHRCYP3A4VCAM1MEN1MAPT
SCHEMBL13931955 0.80 ALDH1A1 (0.47) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL1796916 0.80 VCAM1 (0.53) KAT2BVCAM1MEN1MAPTKMT2A
SCHEMBL709464 0.80 ALDH1A1 (0.42) GPR35VCAM1SMN1; SMN2MAPTNPSR1
SCHEMBL38666571 0.79 VCAM1 (0.39) VCAM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL18825060 0.78 TSHR (0.42) TSHRCYP3A4GPR35SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946478-B2 Benzamide derivative with anticancer activity and preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-02-03 US disclosed
US-20130225810-A1 BENZAMIDE DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2013-08-29 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-20130225810-A1 BENZAMIDE DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF HDAC5, TMBIM6, HDAC6 TSHR 4200/4885CYP3A4 350/4885GPR35 3615/4885

“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.