SCHEMBL6539783

SCHEMBL6539783

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PPARD Q03181 7/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 1/20 0.37
APP P05067 2/20 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 SCHEMBL6539698 0.99 KMT2A (0.39) ALDH1A1MAPTKMT2AMEN1PPARD
Hydrochloric Acid SCHEMBL6207772 0.99 KMT2A (0.39) ALDH1A1MAPTKMT2AMEN1PPARD
SCHEMBL6539799 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1PPARD
SCHEMBL6538959 0.89 PPARD (0.40) ALDH1A1MAPTKMT2AMEN1PPARD
SCHEMBL6229912 0.89 PPARD (0.40) ALDH1A1MAPTKMT2AMEN1PPARD
SCHEMBL6234081 0.88 PPARD (0.39) KMT2AMEN1PPARDHDAC6
SCHEMBL6229835 0.87 KMT2A (0.39) ALDH1A1MAPTKMT2AMEN1PPARD
SCHEMBL6538981 0.86 MAOB (0.54) ALDH1A1MAPTPPARDHDAC6KDM4E
SCHEMBL6538927 0.83 MTNR1A (0.44) ALDH1A1KMT2AMEN1PPARDKDM4E
SCHEMBL6540430 0.83 MTNR1A (0.44) ALDH1A1KMT2AMEN1PPARDKDM4E

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 ALDH1A1 163/4885MAPT 4796/4885KMT2A 3081/4885

“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.