SCHEMBL24176016

SCHEMBL24176016

CCCCC(CCCC)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
TAS1R3 Q7RTX0 8/20 0.58
TAS1R1 Q7RTX1 8/20 0.58
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
UTS2R Q9UKP6 2/20 0.47
CA2 P00918 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL28858120 0.89 HTT (0.74) HTTTAS1R3TAS1R1HDAC3HDAC1
SCHEMBL31069924 0.83 CA2 (0.67) HTTTAS1R3TAS1R1HDAC3HDAC1
SCHEMBL13375870 0.83 TAS1R3 (0.65) HTTTAS1R3TAS1R1ALDH1A1
SCHEMBL24193420 0.81 TAS1R3 (0.58) HTTTAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL22747924 0.81 PRSS1 (0.59) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL21078080 0.79 TAS1R3 (0.58) HTTTAS1R3TAS1R1ALDH1A1GAA
SCHEMBL9128648 0.79 ALDH1A1 (0.71) HTTTAS1R3TAS1R1HDAC3HDAC1
SCHEMBL30868632 0.78 TAS1R3 (0.77) HTTTAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL310748 0.78 TAS1R3 (0.52) HTTTAS1R3TAS1R1HDAC3HDAC1
SCHEMBL165896 0.77 PRSS1 (0.61) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2022-01-06 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-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARP15 HTT 2495/4885TAS1R3 4009/4885TAS1R1 4156/4885
US-11858879-B2 PARG inhibitors and method of use thereof PARG, PARP12, PARP15 HTT 2495/4885TAS1R3 4009/4885TAS1R1 4156/4885

“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.