SCHEMBL29326465

SCHEMBL29326465

Cc1ccc2cccc(-n3c(=O)[nH]c4cc(-c5ccccc5Cl)ccc4c3=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.50
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
PTGES O14684 6/20 0.41
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
NPEPPS P55786 1/20 0.37
METAP2 P50579 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
FEN1 P39748 1/20 0.37
JAK2 O60674 1/20 0.36
BTK Q06187 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36

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
SCHEMBL29326363 0.90 TNKS2 (0.50) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326701 0.89 KDM4E (0.45) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL27378579 0.87 TNKS2 (0.47) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326366 0.85 KDM4E (0.47) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326563 0.85 TNKS2 (0.56) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326500 0.84 TNKS2 (0.60) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326311 0.83 KDM4E (0.47) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326453 0.82 CYP1A1 (0.47) TNKS2KDM4EHTTPTGESGAA
SCHEMBL29326509 0.81 TNKS2 (0.53) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326236 0.81 NPEPPS (0.44) TNKS2KDM4EHTTPTGESCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE TNKS2 619/4885KDM4E 3744/4885HTT 3577/4885

“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.