SCHEMBL6978855

SCHEMBL6978855

CC(C)c1nc2ccc(Cl)cc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
HTR3A P46098 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
PARG Q86W56 1/20 0.52
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51
TUBB3 Q13509 3/20 0.51
TUBB2A Q13885 3/20 0.51
TUBB8 Q3ZCM7 3/20 0.51
TUBA3E Q6PEY2 3/20 0.51
TUBA1A Q71U36 3/20 0.51
TUBA1C Q9BQE3 3/20 0.51
TUBB6 Q9BUF5 3/20 0.51
TUBB2B Q9BVA1 3/20 0.51
TUBB1 Q9H4B7 3/20 0.51
PARP1 P09874 2/20 0.50

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
SCHEMBL23882120 0.89 KDM4E (0.51) KDM4EHTR3AHRH4PARGTUBB4A
SCHEMBL30176844 0.83 PARG (0.53) KDM4EPARGTUBB4ATUBBTUBA3C
SCHEMBL26438902 0.83 PARG (0.53) KDM4EPARGTUBB4ATUBBTUBA3C
SCHEMBL6975873 0.81 PARP1 (0.52) KDM4EPARGTUBB4ATUBBTUBA3C
SCHEMBL17786594 0.81 PARG (0.52) KDM4EPARGPARP1TNKSTNKS2
SCHEMBL11376113 0.79 PARG (0.50) KDM4EPARGPARP1
SCHEMBL5313776 0.79 TYMS (0.72) KDM4EHTR3AHRH4PARGTUBB4A
SCHEMBL31463101 0.79 TYMS (0.72) KDM4EHTR3AHRH4PARGTUBB4A
SCHEMBL3423481 0.78 KDM4E (0.59) KDM4EHTR3AHRH4TUBB4ATUBB
SCHEMBL21859295 0.77 TNKS (0.53) KDM4EHTR3AHRH4TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION THE BOARDS OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2023-04-27 US disclosed
CN-112174899-B Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2023-01-17 CN disclosed
CN-112174899-A Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2021-01-05 CN disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 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 (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-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION CDC37, SI, DAD1 KDM4E 3775/4885HTR3A 1826/4885HRH4 4225/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 KDM4E 3970/4885HTR3A 1277/4885HRH4 815/4885

“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.