SCHEMBL6994553

SCHEMBL6994553

COC(=O)c1ccc2c(c1)NC(=O)C(C)O2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.59
ALOX5 P09917 1/20 0.56
PARP1 P09874 4/20 0.51
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL31750319 1.00 SMYD3 (0.59) SMYD3ALOX5PARP1ALOX15HSD17B10
SCHEMBL2238303 1.00 SMYD3 (0.59) SMYD3ALOX5PARP1ALOX15HSD17B10
SCHEMBL12362558 1.00 SMYD3 (0.59) SMYD3ALOX5PARP1ALOX15HSD17B10
SCHEMBL8029156 0.89 PARP1 (0.51) SMYD3ALOX5PARP1ALOX15HSD17B10
SCHEMBL34474521 0.85 ALOX5 (0.54) SMYD3ALOX5PARP1ALOX15HSD17B10
SCHEMBL2882943 0.84 SMYD3 (0.62) SMYD3ALOX5PARP1USP2GAA
SCHEMBL2818354 0.84 SMYD3 (0.62) SMYD3ALOX5PARP1USP2GAA
SCHEMBL19691113 0.84 SMYD3 (0.62) SMYD3PARP1USP2GAAPDE3B
SCHEMBL24124659 0.83 SMYD3 (0.58) SMYD3PARP1USP2GAAPDE3B
SCHEMBL16792512 0.83 SMYD3 (0.62) SMYD3PARP1HSD17B10USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081521-B1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LTD (IN) 2025-12-10 EP disclosed
CN-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 CN disclosed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
US-20230119316-A1 Substituted Tricyclic Compounds LUPIN LIMITED (IN) 2023-04-20 US disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 CN disclosed
EP-4081521-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-11-02 EP disclosed
CN-115028619-A SMYD inhibitors EPIZYME股份有限公司 2022-09-09 CN disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 US disclosed
CN-107072205-B SMYD inhibitors EPIZYME股份有限公司 2022-07-15 CN disclosed
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
CN-1060769-C 1,4-benzoxazine derivatives, pharmaceutical composition containing the same and use thereof KENEBO LTD (JP) 2001-01-17 CN disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
EP-0719766-B1 1,4-Benzoxazine derivative, pharmaceutical composition containing the same and use thereof KANEBO LTD (JP) 2000-04-12 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
US-5597820-A CARDIOVASCULAR DISORDERS KANEBO, LTD. (JP) 1997-01-28 US disclosed
CN-1130183-A 1,4-benzoxazine derivatives, pharmaceutical composition containing the same and use thereof KANEBO LTD (JP) 1996-09-04 CN disclosed
EP-0719766-A1 1,4-Benzoxazine derivative, pharmaceutical composition containing the same and use thereof KANEBO LTD. (JP) 1996-07-03 EP 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 (4 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-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 SMYD3 442/4885ALOX5 4567/4885PARP1 794/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 SMYD3 442/4885ALOX5 4567/4885PARP1 794/4885
US-20230119316-A1 Substituted Tricyclic Compounds SOS1, RSU1, KSR1 SMYD3 4257/4885ALOX5 4010/4885PARP1 3524/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885ALOX5 3891/4885PARP1 4594/4885

“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.