SCHEMBL15218943

SCHEMBL15218943

C#Cc1ccc(C(=O)N2CCC2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.52
▸ GAA P10253 4/20 0.51
▸ ALDH1A1 P00352 9/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HTT P42858 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ L3MBTL3 Q96JM7 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL15208504 0.97 HTT (0.54) RXFP1GAAALDH1A1SMN1; SMN2HTT
SCHEMBL15208345 0.96 SMN1; SMN2 (0.56) RXFP1GAAALDH1A1SMN1; SMN2HTT
SCHEMBL15209063 0.88 GAA (0.48) GAAALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL15209356 0.88 L3MBTL1 (0.54) GAAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL15208595 0.88 GAA (0.67) GAAALDH1A1SMN1; SMN2HTTLMNA
Hydrochloric Acid SCHEMBL15209122 0.87 L3MBTL1 (0.53) GAAALDH1A1SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL15209798 0.87 GAA (0.47) GAAALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL14934220 0.81 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL15208727 0.81 ALDH1A1 (0.44) GAAALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL14934216 0.80 ALDH1A1 (0.52) GAAALDH1A1SMN1; SMN2HTTLMNA

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 5 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-8946478-B2 Benzamide derivative with anticancer activity and preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-02-03 — — US disclosed
EP-2636667-A1 BENZAMIDE DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2013-09-11 — — EP 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
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 RXFP1 4490/4885GAA 80/4885ALDH1A1 103/4885

“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.

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