SCHEMBL5202032

SCHEMBL5202032

NC(=O)c1cc(O)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.65
NCOA3 Q9Y6Q9 1/20 0.65
IKBKB O14920 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE10A Q9Y233 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 2/20 0.46
DHODH Q02127 2/20 0.45
GRM2 Q14416 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 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
SCHEMBL30172583 0.85 KDM4E (0.64) AKR1C3AKR1C2AKR1C1KDM4EHTT
SCHEMBL662652 0.85 KDM4E (0.64) AKR1C3AKR1C2AKR1C1KDM4EHTT
SCHEMBL28267403 0.84 KDM4E (0.62) AKR1C3AKR1C2AKR1C1KDM4EHTT
Hydrochloric Acid SCHEMBL11329279 0.84 KDM4E (0.62) AKR1C3AKR1C2AKR1C1KDM4EHTT
SCHEMBL28691005 0.82 NCOA1 (0.60) NCOA1NCOA3IKBKBKDM4EHTT
SCHEMBL9574610 0.82 NCOA1 (0.60) NCOA1NCOA3GRM2
SCHEMBL10202038 0.82 NPC1 (0.49) NCOA1NCOA3AKR1C3AKR1C2AKR1C1
SCHEMBL27632452 0.82 AKR1C3 (0.48) NCOA1NCOA3AKR1C3AKR1C2AKR1C1
SCHEMBL7328160 0.82 AKR1C3 (0.48) NCOA1NCOA3AKR1C3AKR1C2AKR1C1
SCHEMBL31214767 0.81 NCOA1 (0.59) NCOA1NCOA3IKBKBKDM4EHTT

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
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (8 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 NCOA1 3144/4885NCOA3 3308/4885IKBKB 1048/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 NCOA1 3144/4885NCOA3 3308/4885IKBKB 1048/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 NCOA1 1695/4885NCOA3 338/4885IKBKB 1057/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 NCOA1 2849/4885NCOA3 998/4885IKBKB 1057/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 NCOA1 2820/4885NCOA3 975/4885IKBKB 1027/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 NCOA1 2790/4885NCOA3 1116/4885IKBKB 986/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 NCOA1 2862/4885NCOA3 996/4885IKBKB 1061/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 NCOA1 3066/4885NCOA3 2907/4885IKBKB 1196/4885

“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.