SCHEMBL18573579

SCHEMBL18573579

COc1ccc(-c2ccc(C(=O)NCC(C)C)s2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ NAMPT P43490 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGDS O60760 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ PRKCZ Q05513 1/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 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
SCHEMBL18573580 0.91 HSD17B1 (0.55) KMT2ALMNATP53SMN1; SMN2KDM4E
SCHEMBL30501703 0.85 KDM4E (0.52) KMT2ALMNASMN1; SMN2KDM4ENPC1
SCHEMBL18573543 0.85 KDM4E (0.52) KMT2ALMNASMN1; SMN2KDM4ENPC1
SCHEMBL18573585 0.81 HPGD (0.43) KMT2ALMNASMN1; SMN2KDM4ENPC1
SCHEMBL18573587 0.81 ACKR3 (0.39) KMT2ALMNASMN1; SMN2KDM4ENPC1
SCHEMBL20310142 0.79 RAB9A (0.43) KMT2ALMNATP53SMN1; SMN2KDM4E
SCHEMBL23222437 0.77 IKBKB (0.55) LMNASMN1; SMN2KDM4ENPC1HPGD
SCHEMBL18573515 0.77 NPC1 (0.64) KMT2ALMNATP53SMN1; SMN2KDM4E
SCHEMBL18573588 0.76 HDAC6 (0.58) KMT2ALMNASMN1; SMN2KDM4ENPC1
SCHEMBL18573590 0.76 NPC1 (0.62) KMT2ALMNASMN1; SMN2KDM4ENPC1

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 13 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
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
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 KMT2A 2781/4885LMNA 3689/4885NAMPT 1257/4885
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same BECN1, ATG7, SQSTM1 KMT2A 2158/4885LMNA 4232/4885NAMPT 1574/4885
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BECN1, ATG7, TFEB KMT2A 2643/4885LMNA 4153/4885NAMPT 2104/4885

“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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