SCHEMBL5000624

SCHEMBL5000624

[O]c1ccc(Cl)cc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL9335409 0.81 CNR2 (0.47) LMNAALDH1A1NPC1RAB9ACASP3
SCHEMBL28085233 0.78 POLB (0.41) LMNAALDH1A1NPC1RAB9ACASP3
SCHEMBL9335164 0.77 LMNA (0.50) LMNAALDH1A1NPC1RAB9ACASP3
SCHEMBL27874980 0.76 POLB (0.40) LMNAALDH1A1NPC1RAB9ACASP3
SCHEMBL28452847 0.76 MAPT (0.47) LMNAALDH1A1NPC1RAB9ACASP3
SCHEMBL27941958 0.76 AR (0.43) LMNAALDH1A1NPC1RAB9ACASP3
SCHEMBL16113228 0.74 RAB9A (0.41) LMNAALDH1A1NPC1RAB9ACASP3
SCHEMBL6273269 0.74 ALDH1A1 (0.51) LMNAALDH1A1NPC1RAB9AKDM4E
SCHEMBL9671860 0.74 ALDH1A1 (0.50) LMNAALDH1A1NPC1RAB9AKDM4E
SCHEMBL21057030 0.71 TSHR (0.57) LMNAALDH1A1KDM4EMAPTGAA

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-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF LMNA 2885/4885ALDH1A1 4411/4885NPC1 1192/4885

“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.