SCHEMBL2645253

SCHEMBL2645253

NC(=O)c1ccncc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
SIRT3 Q9NTG7 2/20 0.57
MKNK1 Q9BUB5 4/20 0.53
MKNK2 Q9HBH9 4/20 0.53
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
CHUK O15111 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
MEN1 O00255 1/20 0.48
KDM6B O15054 1/20 0.48
KDM4A O75164 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4D Q6B0I6 1/20 0.48
HTT P42858 1/20 0.46

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
SCHEMBL17438485 0.98 TDP1 (0.55) TDP1SIRT3MKNK1MKNK2KDM4E
SCHEMBL17438491 0.98 TDP1 (0.55) TDP1SIRT3MKNK1MKNK2KDM4E
SCHEMBL1369445 0.83 SIRT3 (0.62) TDP1SIRT3MKNK1MKNK2KDM4E
SCHEMBL28255112 0.82 KDM4C (0.47) TDP1SIRT3KDM4EALDH1A1MAPT
SCHEMBL1330970 0.82 TDP1 (0.67) TDP1SIRT3MKNK1MKNK2KDM4E
SCHEMBL1687197 0.82 TDP1 (0.67) TDP1SIRT3MKNK1MKNK2KDM4E
Hydrochloric Acid SCHEMBL4598141 0.81 SIRT3 (0.60) TDP1SIRT3MKNK1MKNK2KDM4E
SCHEMBL29822292 0.80 KDM4C (0.61) TDP1KDM4EALDH1A1MAPTTSHR
SCHEMBL2562774 0.80 KDM4C (0.61) TDP1KDM4EALDH1A1MAPTTSHR
SCHEMBL5700307 0.78 TDP1 (0.57) TDP1SIRT3MKNK1MKNK2KDM4E

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116267014-A Cyclic deuterated gaboxadol and its use for treating psychotic disorders CERTEGO治疗公司 2023-06-20 CN claimed
EP-2978427-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR INT AG (CH) 2018-08-08 EP claimed
CN-116267014-A Cyclic deuterated gaboxadol and its use for treating psychotic disorders CERTEGO治疗公司 2023-06-20 CN disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
CN-115244037-A Substituted triazinones as thyroid hormone receptor agonists 上海诚益生物科技有限公司 2022-10-25 CN disclosed
CN-110734429-B Usnea nicotinamide compound and preparation method and application thereof 昆明医科大学 2022-05-03 CN disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
EP-3704103-A1 KINASE INHIBITORS FOR THE TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS University of Miami (US) 2020-09-09 EP 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
EP-2978427-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR INT AG (CH) 2018-08-08 EP disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
CN-1723210-A Fused furan compound TANABE SEIYAKU CO (JP) 2006-01-18 CN disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP 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
WO-1990003379-A1 PHOTOCHROMIC SUBSTANCES OPTISCHE WERKE G. RODENSTOCK (DE) 1990-04-05 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 (7 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 TDP1 3408/4885SIRT3 680/4885MKNK1 2527/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 TDP1 1130/4885SIRT3 1871/4885MKNK1 1807/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 TDP1 1714/4885SIRT3 3184/4885MKNK1 3068/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 TDP1 2058/4885SIRT3 3463/4885MKNK1 3230/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 TDP1 1739/4885SIRT3 3116/4885MKNK1 3058/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 TDP1 2834/4885SIRT3 549/4885MKNK1 2117/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 TDP1 4423/4885SIRT3 1544/4885MKNK1 3523/4885

“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.