SCHEMBL6539690

SCHEMBL6539690

COc1ccc(-c2nc(C(=O)N3CCCCC3)oc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
MCHR1 Q99705 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PPARD Q03181 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GABRA1 P14867 1/20 0.35
RCE1 Q9Y256 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6255678 0.91 HPGD (0.43) HPGDCA12CA9CA2ALDH1A1
SCHEMBL6539699 0.89 HPGD (0.43) HPGDMCHR1CA12CA9CA2
SCHEMBL6392729 0.88 HPGD (0.46) HPGDMCHR1CA12CA9CA2
SCHEMBL6539344 0.88 HPGD (0.42) HPGDMCHR1CA12CA9CA2
Hydrochloric Acid SCHEMBL6540413 0.86 HPGD (0.44) HPGDMCHR1CA12CA9CA2
SCHEMBL6539374 0.84 PPARD (0.37) PPARDALDH1A1CNR1GABRA1RCE1
SCHEMBL6539461 0.83 HRH3 (0.38) CA2PPARDALDH1A1HRH3RCE1
SCHEMBL6207437 0.82 KMT2A (0.46) HPGDMCHR1PPARDALDH1A1SMN1; SMN2
SCHEMBL6539876 0.82 HPGD (0.50) HPGDMCHR1CA12CA9CA2
SCHEMBL6539798 0.81 GSK3B (0.36) PPARDALDH1A1GABRA1RCE1MEN1

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 29/4885MCHR1 3853/4885CA12 3116/4885

“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.