SCHEMBL6539405

SCHEMBL6539405

COc1ccc(-c2nc(C(=O)N3CCCCC3)oc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 3/20 0.44
CNR1 P21554 2/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 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
Hydrochloric Acid SCHEMBL6539318 0.91 HPGD (0.47) HPGDSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6392729 0.89 HPGD (0.46) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6540433 0.89 ALDH1A1 (0.44) HPGDSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6540475 0.88 ALDH1A1 (0.44) HPGDSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6233246 0.87 RAB9A (0.50) HPGDSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6255678 0.87 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6539351 0.86 RAB9A (0.53) HPGDSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6540484 0.86 HPGD (0.41) HPGDSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6539766 0.82 IKBKB (0.46) PTGS2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6540413 0.81 HPGD (0.44) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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 HPGD 29/4885SMN1; SMN2 3341/4885NPC1 1686/4885

“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.