SCHEMBL6233246

SCHEMBL6233246

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
HPGD P15428 3/20 0.47
PTGS2 P35354 3/20 0.47
CNR1 P21554 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6539405 0.87 HPGD (0.49) RAB9ANPC1HPGDPTGS2CNR1
SCHEMBL6539351 0.86 RAB9A (0.53) RAB9ANPC1HPGDPTGS2TDP1
SCHEMBL6539876 0.85 HPGD (0.50) RAB9ANPC1HPGDCNR1POLB
Hydrochloric Acid SCHEMBL6539318 0.85 HPGD (0.47) RAB9ANPC1HPGDPTGS2CNR1
SCHEMBL6540433 0.82 ALDH1A1 (0.44) RAB9ANPC1HPGDPTGS2CNR1
SCHEMBL6540475 0.82 ALDH1A1 (0.44) RAB9ANPC1HPGDPTGS2CNR1
SCHEMBL6255678 0.81 HPGD (0.43) RAB9ANPC1HPGDPTGS2CNR1
SCHEMBL6231751 0.80 IKBKB (0.47) RAB9ANPC1ALDH1A1KDM4ETP53
SCHEMBL6540484 0.80 HPGD (0.41) RAB9ANPC1HPGDPTGS2CNR1
SCHEMBL6540193 0.78 ESR2 (0.44) NPC1HPGDTDP1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO 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 RAB9A 4006/4885NPC1 1686/4885HPGD 29/4885

“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.