SCHEMBL6539344

SCHEMBL6539344

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MCHR1 Q99705 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PPARD Q03181 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GABRA1 P14867 1/20 0.36
RCE1 Q9Y256 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6539699 0.93 HPGD (0.43) HPGDALDH1A1LMNATSHRMCHR1
SCHEMBL6540475 0.91 ALDH1A1 (0.44) HPGDALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL6392729 0.89 HPGD (0.46) HPGDALDH1A1MCHR1PPARDSMN1; SMN2
Hydrochloric Acid SCHEMBL6540413 0.88 HPGD (0.44) HPGDALDH1A1MCHR1PPARDSMN1; SMN2
SCHEMBL6539690 0.88 HPGD (0.42) HPGDALDH1A1MCHR1ADORA2AADORA2B
SCHEMBL6538954 0.84 PPARD (0.38) CD274PPARDCNR1GABRA1RCE1
SCHEMBL6540433 0.83 ALDH1A1 (0.44) HPGDALDH1A1LMNATSHRPPARD
SCHEMBL6539472 0.82 HRH3 (0.38) PPARDCNR1HRH3RCE1TAAR1
SCHEMBL6207437 0.82 KMT2A (0.46) HPGDALDH1A1LMNAMCHR1PPARD
SCHEMBL6539876 0.82 HPGD (0.50) HPGDMCHR1ADORA2AADORA2BPPARD

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 29/4885ALDH1A1 163/4885LMNA 2620/4885

“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.