SCHEMBL6521186

SCHEMBL6521186

C[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.49
AGPAT2 O15120 1/20 0.43
GRM5 P41594 1/20 0.42
DGAT1 O75907 1/20 0.41
RAF1 P04049 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL6521190 1.00 SCN10A (0.49) SCN10AAGPAT2GRM5DGAT1RAF1
SCHEMBL6518314 0.87 RAF1 (0.48) GRM5DGAT1RAF1LMNAHTT
SCHEMBL6515200 0.87 AAK1 (0.45) GRM5DGAT1RAF1LMNAHTT
SCHEMBL6518322 0.87 RAF1 (0.48) GRM5DGAT1RAF1LMNAHTT
SCHEMBL6515209 0.87 AAK1 (0.45) GRM5DGAT1RAF1LMNAHTT
SCHEMBL6513482 0.86 GRM5 (0.43) AGPAT2GRM5DGAT1RAF1LMNA
SCHEMBL6513489 0.86 GRM5 (0.43) AGPAT2GRM5DGAT1RAF1LMNA
SCHEMBL6516540 0.85 LMNA (0.51) GRM5LMNAHTT
SCHEMBL6510982 0.85 LMNA (0.51) GRM5LMNAHTT
SCHEMBL6510975 0.85 LMNA (0.51) GRM5LMNAHTT

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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 US claimed
US-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme CHEK1, CHEK2, RAD1 SCN10A 4385/4885AGPAT2 4432/4885GRM5 4202/4885

“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.