SCHEMBL21026527

SCHEMBL21026527

CC(C)c1ccc(NC(=O)C2CCCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.54
SCN3A Q9NY46 3/20 0.52
SCN9A Q15858 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
EPHX1 P07099 2/20 0.51
EPHX2 P34913 2/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
PFKFB2 O60825 2/20 0.48
PFKFB1 P16118 2/20 0.48
PFKFB3 Q16875 2/20 0.48

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
SCHEMBL38655359 1.00 PSMB8 (0.54) PSMB8SCN3ASCN9AKMT2AMEN1
Hydrochloric Acid SCHEMBL38658002 0.99 SCN3A (0.54) PSMB8SCN3ASCN9AKMT2AMEN1
Hydrochloric Acid SCHEMBL38655240 0.99 SCN3A (0.54) PSMB8SCN3ASCN9AKMT2AMEN1
SCHEMBL23373327 0.92 PFKFB3 (0.55) PSMB8SCN3ASCN9AKMT2AMEN1
SCHEMBL85092 0.84 RAB9A (0.56) PSMB8SCN3ASCN9AKMT2AEPHX1
SCHEMBL873241 0.84 SCN3A (0.55) PSMB8SCN3ASCN9AEPHX1SMN1; SMN2
SCHEMBL24609551 0.84 SCN3A (0.55) PSMB8SCN3ASCN9APFKFB2PFKFB1
SCHEMBL17676974 0.84 SCN3A (0.55) PSMB8SCN3ASCN9AEPHX1SMN1; SMN2
SCHEMBL7788050 0.84 SCN3A (0.62) PSMB8SCN3ASCN9AEPHX1RAB9A
SCHEMBL10327297 0.84 SCN3A (0.55) PSMB8SCN3ASCN9AEPHX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-03-02 US disclosed
US-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HWANG SUNG YEOUN (KR) 2019-06-06 US disclosed
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO., LTD. (KR) 2019-05-30 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 (3 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-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 PSMB8 336/4885SCN3A 2685/4885SCN9A 2321/4885
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 PSMB8 336/4885SCN3A 2685/4885SCN9A 2321/4885
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient ESRRG, ESR1, ESR2 PSMB8 240/4885SCN3A 2601/4885SCN9A 2101/4885

“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.