SCHEMBL3342495

SCHEMBL3342495

Oc1nccc2sccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
LMNA P02545 1/20 0.39
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
GAA P10253 1/20 0.33
HSP90AA1 P07900 1/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL31097390 1.00 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL761059 0.74 DYRK1A (0.48) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL7709562 0.74 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL760085 0.74 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL12004103 0.74 HTR2C (0.49) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL1811426 0.74 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL1900422 0.74 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL29792714 0.74 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL29957043 0.74 HTR2C (0.41) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL1631599 0.72 KDM4E (0.42) HTR2CLMNAKDM4EMAPTALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476204-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS Theras, Inc. (US) 2024-12-18 EP disclosed
CN-118946555-A Compounds having T-structures formed by at least four rings for use in the treatment of cancer and other indications 瑟拉斯有限公司 2024-11-12 CN disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-3898609-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE Shy Therapeutics LLC (US) 2021-10-27 EP disclosed
WO-2020132071-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND F1BROTIC DISEASE SHY THERAPEUTICS. LLC (US) 2020-06-25 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-4775757-A CARDIOTONIC AND RENAL VASODILATING AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-10-04 US 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 (1 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 HTR2C 287/4885LMNA 4824/4885KDM4E 1755/4885

“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.