SCHEMBL6538813

SCHEMBL6538813

COc1ccc(-c2nc(CSc3ccncc3)oc2-c2ccc(OCCN)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.43
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ATR Q13535 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6539707 0.86 PPARD (0.44) PPARDCYP19A1ALDH1A1CDK2GSK3B
SCHEMBL6539910 0.86 PPARD (0.41) PPARDCYP19A1ALDH1A1MAPTCDK2
SCHEMBL6539044 0.85 PPARD (0.44) PPARDCYP19A1CDK2GSK3BPIK3CA
SCHEMBL6538838 0.85 PPARD (0.38) PPARDTAAR1ATRRAB9AHPGD
SCHEMBL6539024 0.85 PPARD (0.43) PPARDCYP19A1ALDH1A1KDM4EHSD17B10
SCHEMBL6540355 0.85 PPARD (0.48) PPARDCYP19A1ALDH1A1CDK2GSK3B
SCHEMBL6539881 0.85 PPARD (0.51) PPARDCYP19A1ALDH1A1MAPTCDK2
SCHEMBL6539167 0.83 PPARD (0.44) PPARDCYP19A1CDK2GSK3BTAAR1
SCHEMBL6325951 0.78 PPARD (0.38) PPARDCYP19A1TAAR1ATRHSD17B10
SCHEMBL6538787 0.77 PPARD (0.41) PPARDALDH1A1TAAR1NPC1RAB9A

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885CYP19A1 263/4885ALDH1A1 163/4885

“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.