SCHEMBL3556077

SCHEMBL3556077

O=C(O)C(c1ccc(F)cc1)c1ccc(F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
FOLH1 Q04609 2/20 0.38
EPHX2 P34913 2/20 0.38
P4HTM Q9NXG6 1/20 0.36
P2RX7 Q99572 2/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL3554668 0.93 EPHX2 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL3554264 0.90 EPHX2 (0.47) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL3552887 0.87 CTSA (0.39) HDAC3HDAC6HDAC4HDAC7HDAC8
SCHEMBL67656 0.83 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL3551260 0.81 P2RX7 (0.42) HDAC4P2RX7
SCHEMBL3554154 0.80 KMT2A (0.46) FOLH1NPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL3985471 0.77 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL29009823 0.75 PTGS2 (0.47) FOLH1LMNA
SCHEMBL2871540 0.73 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5097976 0.69 NR4A2 (0.65)

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
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR HDAC3 1518/4885HDAC1 1610/4885HDAC2 1566/4885

“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.