SCHEMBL23317519

SCHEMBL23317519

Cc1cc(C#N)cc(C)c1NC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
LCK P06239 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GPR35 Q9HC97 4/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
SOAT1 P35610 1/20 0.38
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL22430585 0.80 HPGD (0.47) LCKGPR35LMNAALDH1A1NPC1
SCHEMBL25311825 0.77 HTT (0.57) HTTLCKL3MBTL1USP2LMNA
SCHEMBL23317645 0.77 HTT (0.57) HTTLCKL3MBTL1PDK1PDK2
SCHEMBL22430445 0.76 KMT2A (0.41) LCKGPR35LMNAALDH1A1NPC1
SCHEMBL22430586 0.76 TSHR (0.53) L3MBTL1GPR35POLBLMNAALDH1A1
SCHEMBL18622119 0.76 HTT (0.61) HTTLCKL3MBTL1USP2ALDH1A1
SCHEMBL17112950 0.76 PDK1 (0.49) HTTL3MBTL1PDK1PDK2PDK3
SCHEMBL22408297 0.75 LMNA (0.47) GPR35POLBLMNAALDH1A1NPC1
SCHEMBL23317289 0.74 HTT (0.54) HTTLCKL3MBTL1USP2ALDH1A1
SCHEMBL22430542 0.73 EGLN2 (0.46) HTTLCKPOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 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 (3 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-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 HTT 4183/4885LCK 197/4885L3MBTL1 4848/4885
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 HTT 4183/4885LCK 197/4885L3MBTL1 4848/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 HTT 4183/4885LCK 197/4885L3MBTL1 4848/4885

“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.