SCHEMBL6206961

SCHEMBL6206961

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCCNC(N)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PPARD Q03181 7/20 0.42
NPC1 O15118 1/20 0.40
HDAC4 P56524 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
IKBKB O14920 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6207227 0.90 PPARD (0.44) MTNR1AMTNR1BPPARDHDAC4HDAC6
SCHEMBL6539042 0.87 MTNR1A (0.42) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6539856 0.85 MTNR1A (0.48) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6538927 0.84 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6540430 0.84 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6236506 0.84 PPARD (0.43) PPARDALDH1A1NPSR1KMT2AKDM4E
SCHEMBL6539805 0.83 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6232537 0.83 KMT2A (0.41) PPARDALDH1A1NPSR1KMT2AKDM4E
SCHEMBL6538996 0.83 MTNR1A (0.48) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6207074 0.83 ALDH1A1 (0.41) PPARDALDH1A1NPSR1KMT2AKDM4E

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 MTNR1A 410/4885MTNR1B 474/4885PPARD 1747/4885

“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.