SCHEMBL18573523

SCHEMBL18573523

O=C(NCc1ccccn1)c1ccc(-c2ccc3c(c2)OCCO3)s1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC1 Q13547 1/20 0.48
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PKM P14618 2/20 0.45
▸ ESRRG P62508 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL18573581 0.94 HPGD (0.54) HPGDHDAC6HDAC1RAB9ANPC1
SCHEMBL18997461 0.81 HPGD (0.67) HPGDHDAC6HDAC1RAB9ANPC1
SCHEMBL4922596 0.79 HPGD (0.64) HPGDHDAC6HDAC1RAB9ANPC1
SCHEMBL18573588 0.77 HDAC6 (0.58) HPGDHDAC6HDAC1RAB9ANPC1
SCHEMBL18573537 0.77 NPC1 (0.63) HPGDHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL18573586 0.77 NPC1 (0.63) HPGDHDAC6HDAC1RAB9ANPC1
SCHEMBL18573575 0.73 HDAC6 (0.62) HPGDHDAC6HDAC1RAB9ANPC1
SCHEMBL6246675 0.73 HDAC6 (0.72) HPGDHDAC6HDAC1RAB9ANPC1
SCHEMBL12900100 0.72 HDAC6 (0.55) HDAC6RAB9ANPC1POLBSMN1; SMN2
SCHEMBL1587891 0.72 HPGD (0.72) HPGDRAB9ANPC1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP claimed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US claimed
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Autophagysciences Inc. (KR) 2018-08-30 — — US claimed
EP-3339299-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2018-06-27 — — EP claimed
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP disclosed
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP disclosed
CN-107922374-B Novel catechol derivatives and pharmaceutical compositions containing the same 自体吞噬科学有限公司 2020-11-06 — — CN disclosed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US disclosed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US disclosed
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same Autophagysciences Inc. (KR) 2020-05-26 — — US disclosed
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same Autophagysciences Inc. (KR) 2020-05-26 — — US disclosed
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Autophagysciences Inc. (KR) 2018-08-30 — — US disclosed
EP-3339299-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2018-06-27 — — EP disclosed
EP-3339299-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2018-06-27 — — EP disclosed
WO-2017034242-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 유영제약 2017-03-02 — — WO 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-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE ATG7, BECN1, SLC10A1 HPGD 773/4885HDAC6 233/4885HDAC1 809/4885
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same BECN1, ATG7, SQSTM1 HPGD 1108/4885HDAC6 213/4885HDAC1 666/4885
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BECN1, ATG7, TFEB HPGD 1499/4885HDAC6 136/4885HDAC1 613/4885

“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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