SCHEMBL6495706

SCHEMBL6495706

COc1cccc(C(=O)Nc2ccc(NCCc3csc(C)n3)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 11/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 4/20 0.46
SMO Q99835 2/20 0.45
GRM5 P41594 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6493131 0.91 TP53 (0.57) TP53MAPTLMNASMOPOLB
SCHEMBL6503326 0.90 SMO (0.54) TP53LMNASMOKDM4E
SCHEMBL6794470 0.84 TP53 (0.54) TP53MAPTLMNASMOPOLB
SCHEMBL6488763 0.84 MTTP (0.51) TP53MAPTLMNASMOPOLB
SCHEMBL6492083 0.82 SMO (0.54) TP53LMNASMO
SCHEMBL6500792 0.81 NPC1 (0.52) TP53MAPTLMNASMOKDM4E
SCHEMBL6497710 0.79 POLB (0.49) TP53MAPTLMNAGRM5POLB
SCHEMBL6498250 0.79 POLB (0.49) TP53MAPTLMNAGRM5POLB
SCHEMBL7162887 0.78 MAPT (0.48) TP53MAPTLMNAGRM5POLB
SCHEMBL6794654 0.77 GAA (0.57) TP53MAPTLMNAPOLBKDM4E

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 TP53 3031/4885MAPT 4202/4885LMNA 629/4885

“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.