SCHEMBL3748204

SCHEMBL3748204

O=C(O)c1ccc(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.60
▸ MEN1 O00255 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGDS O60760 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SRD5A2 P31213 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ FABP4 P15090 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ TP53 P04637 2/20 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
SCHEMBL6246675 0.91 HDAC6 (0.72) HDAC6MEN1RAB9AKMT2APOLB
SCHEMBL18573454 0.86 HDAC6 (0.55) HDAC6MEN1RAB9AKMT2AALDH1A1
SCHEMBL3086968 0.84 HDAC6 (0.85) HDAC6MEN1RAB9AKMT2AALDH1A1
SCHEMBL18573642 0.82 NPC1 (0.63) HDAC6MEN1RAB9AKMT2AALDH1A1
SCHEMBL18573453 0.80 RAB9A (0.60) HDAC6MEN1RAB9AKMT2AHPGDS
SCHEMBL12900103 0.80 FABP3 (0.53) HDAC6MEN1RAB9AKMT2AALDH1A1
SCHEMBL18573590 0.77 NPC1 (0.62) HDAC6MEN1RAB9AKMT2AALDH1A1
SCHEMBL3098138 0.75 HDAC6 (1.00) HDAC6MAPTTP53
SCHEMBL23035052 0.75 HDAC1 (0.57) HDAC6RAB9AALDH1A1MAPK1MAPT
SCHEMBL19721202 0.75 HPGD (0.64) HDAC6RAB9AALDH1A1MAPTHPGD

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 12 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 — — US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 — — EP claimed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 — — EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 — — WO claimed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 — — US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 — — US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 — — EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 — — EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 — — WO disclosed
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 — — US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 — — 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 (2 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HDAC6 1723/4885MEN1 550/4885RAB9A 1154/4885
US-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK HDAC6 894/4885MEN1 3793/4885RAB9A 2463/4885

“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.

Send feedback