SCHEMBL6539657

SCHEMBL6539657

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCCN)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.43
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ATR Q13535 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
RCE1 Q9Y256 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MGAT2 Q10469 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 SCHEMBL6538837 0.99 PPARD (0.42) PPARDHDAC1HDAC8HDAC6ATR
SCHEMBL6207246 0.90 PPARD (0.45) PPARDHDAC1HDAC8HDAC6TAAR1
SCHEMBL6232537 0.88 KMT2A (0.41) PPARDMEN1KMT2APTGS1PTGS2
Hydrochloric Acid SCHEMBL6539361 0.87 KMT2A (0.43) PPARDMEN1KMT2AKDM4EHPGD
SCHEMBL6208509 0.85 PPARD (0.42) PPARDHDAC1HDAC8HDAC6TAAR1
SCHEMBL6207227 0.85 PPARD (0.44) PPARDHDAC1HDAC8HDAC6TAAR1
SCHEMBL6207411 0.83 PPARD (0.41) PPARDHDAC1HDAC8HDAC6TAAR1
SCHEMBL6539387 0.83 PPARD (0.47) PPARDHDAC1HDAC8HDAC6HDAC5
SCHEMBL6234081 0.83 PPARD (0.39) PPARDHDAC1HDAC6ATRTAAR1
SCHEMBL6324977 0.82 PPARD (0.42) PPARDHDAC1HDAC8HDAC6TAAR1

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 PPARD 1747/4885HDAC1 652/4885HDAC8 1098/4885

“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.