SCHEMBL6539699

SCHEMBL6539699

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
PPARD Q03181 2/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MCHR1 Q99705 1/20 0.38
GABRA1 P14867 1/20 0.38
PPARA Q07869 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GABRA5 P31644 2/20 0.37
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
RCE1 Q9Y256 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6539344 0.93 HPGD (0.42) HPGDPPARDALDH1A1LMNATSHR
SCHEMBL6540433 0.91 ALDH1A1 (0.44) HPGDPPARDALDH1A1LMNATSHR
SCHEMBL6392729 0.90 HPGD (0.46) HPGDPPARDALDH1A1MCHR1GABRA1
SCHEMBL6539690 0.89 HPGD (0.42) HPGDPPARDALDH1A1MCHR1GABRA1
Hydrochloric Acid SCHEMBL6540413 0.87 HPGD (0.44) HPGDPPARDALDH1A1MCHR1GABRA1
SCHEMBL6272841 0.85 PPARD (0.43) HPGDPPARDALDH1A1LMNAPPARA
SCHEMBL6207437 0.85 KMT2A (0.46) HPGDPPARDALDH1A1LMNAMCHR1
SCHEMBL6539876 0.83 HPGD (0.50) HPGDPPARDMCHR1GABRA1ADORA2A
SCHEMBL6540475 0.83 ALDH1A1 (0.44) HPGDALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL6539405 0.79 HPGD (0.49) HPGDALDH1A1LMNASMN1; SMN2CNR1

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 29/4885PPARD 1747/4885ALDH1A1 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.