SCHEMBL6232537

SCHEMBL6232537

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCCN)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARD Q03181 8/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL6539361 0.99 KMT2A (0.43) KMT2AMEN1KDM4EHPGDNPSR1
SCHEMBL6236506 0.89 PPARD (0.43) KMT2AMEN1KDM4EHPGDNPSR1
SCHEMBL6539657 0.88 PPARD (0.43) KMT2AMEN1KDM4EHPGDNPSR1
Hydrochloric Acid SCHEMBL6538837 0.87 PPARD (0.42) KMT2AMEN1KDM4EHPGDNPSR1
SCHEMBL6207503 0.83 PPARD (0.40) KMT2AMEN1KDM4EHPGDNPSR1
SCHEMBL6206961 0.83 MTNR1A (0.44) KMT2AMEN1KDM4EHPGDNPSR1
SCHEMBL6258696 0.83 PPARD (0.40) KMT2AMEN1KDM4EHPGDPPARD
SCHEMBL6207074 0.82 ALDH1A1 (0.41) KMT2AMEN1KDM4EHPGDNPSR1
SCHEMBL6539712 0.81 NPSR1 (0.50) KMT2AMEN1NPSR1PPARDALDH1A1
SCHEMBL6538831 0.81 ESR2 (0.47) KMT2AMEN1KDM4EHPGDNPSR1

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 KMT2A 3081/4885MEN1 4420/4885KDM4E 1912/4885

“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.