SCHEMBL10193010

SCHEMBL10193010

COC(=O)c1cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.44
CASP3 P42574 1/20 0.43
ALOX5 P09917 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL1186353 0.88 MEN1 (0.50) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL10305757 0.87 SIRT2 (0.47) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15858102 0.84 KDM4E (0.61) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7383587 0.84 KDM4E (0.57) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5221848 0.83 HTT (0.61) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8374386 0.83 MEN1 (0.64) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13633171 0.83 MEN1 (0.52) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15156388 0.83 MAPT (0.60) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15828841 0.82 ALOX5 (0.46) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15156398 0.82 TSHR (0.47) HTTSMN1; SMN2MEN1KMT2AMAPT

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
EP-2415756-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP HTT 372/4885SMN1; SMN2 1139/4885MEN1 3671/4885

“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.