SCHEMBL13629548

SCHEMBL13629548

CC1OC(C2=CSC(c3ccc(Cl)cc3)C2)O1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FTO Q9C0B1 1/20 0.30

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
SCHEMBL13023901 0.74 MAPK1 (0.41) CHRNA7MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL10800732 0.62 LMNA (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL19562787 0.62 LMNA (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL27646984 0.61 ALDH1A1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL18527321 0.60 CHRNA7 (0.48) CHRNA7SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL16034206 0.60 CHRNA7 (0.48) CHRNA7SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL18538074 0.60 CHRNA7 (0.48) CHRNA7SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL18527323 0.60 CHRNA7 (0.48) CHRNA7SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9876621 0.60 MAPK1 (0.42) CHRNA7MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL11938948 0.59 RAB9A (0.37) MAPK1ALDH1A1KDM4EUSP2SMN1; SMN2

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-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 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-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 CHRNA7 4027/4885MAPK1 532/4885SLC6A2 4861/4885

“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.