SCHEMBL3554264

SCHEMBL3554264

O=C(O)C(c1ccccc1)c1ccc(F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
P2RX7 Q99572 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CTSD P07339 1/20 0.38

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) EPHX2P2RX7HDAC3HDAC4HDAC1
SCHEMBL3556077 0.90 HDAC3 (0.44) EPHX2P2RX7TDP1HDAC3HDAC4
SCHEMBL3552887 0.87 CTSA (0.39) EPHX2P2RX7TDP1HDAC3HDAC4
SCHEMBL3551260 0.81 P2RX7 (0.42) P2RX7HDAC4
SCHEMBL3554154 0.80 KMT2A (0.46) LMNAFOLH1POLBALDH1A1
Diphenylacetic Acid SCHEMBL28010817 0.79 SRC (0.59) TDP1L3MBTL1CYP2D6SRCHDAC3
SCHEMBL3985471 0.77 HDAC3 (0.53) TDP1L3MBTL1CYP2D6SRCHDAC3
Diphenylacetic Acid SCHEMBL27543453 0.77 SRC (0.56) TDP1L3MBTL1CYP2D6SRCHDAC3
Diphenylacetic Acid SCHEMBL38022 0.77 SRC (0.62) TDP1L3MBTL1CYP2D6SRCHDAC3
Diphenylacetic Acid SCHEMBL8513250 0.77 SRC (0.62) TDP1L3MBTL1CYP2D6SRCHDAC3

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 EPHX2 3373/4885P2RX7 229/4885TDP1 4687/4885

“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.