SCHEMBL4747178

SCHEMBL4747178

NC(=O)C(O)CC(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ SLC1A3 P43003 2/20 0.51
▸ SLC1A2 P43004 2/20 0.51
▸ SLC1A1 P43005 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ EPHX2 P34913 1/20 0.50
▸ HDAC2 Q92769 3/20 0.49
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46

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
SCHEMBL8563381 0.85 HPGD (0.62) LMNAHPGDL3MBTL1SLC1A3SLC1A2
SCHEMBL11502822 0.81 HPGD (0.61) KDM1ALMNAHPGDL3MBTL1SLC1A3
SCHEMBL6128160 0.81 KDM1A (0.53) KDM1ALMNAHPGDL3MBTL1SLC1A3
SCHEMBL10404583 0.79 HPGD (0.59) KDM1ALMNAHPGDL3MBTL1SLC1A3
SCHEMBL7494284 0.79 HPGD (0.55) LMNAHPGDTSHREPHX2HDAC2
SCHEMBL7494278 0.79 HPGD (0.55) LMNAHPGDTSHREPHX2HDAC2
SCHEMBL5094006 0.78 KDM1A (0.56) KDM1ALMNAHPGDHDAC2MAPT
SCHEMBL5907668 0.78 HPGD (0.67) LMNAHPGDTSHREPHX2HDAC2
SCHEMBL466227 0.78 HDAC2 (0.64) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15971325 0.76 SLC1A3 (0.81) KDM1ALMNAHPGDL3MBTL1SLC1A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765809-B1 XANTHINE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-12-31 — — EP disclosed
US-20080319002-A1 Xanthine Derivatives a Useful as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 — — US disclosed
EP-1765809-A1 XANTHINE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-28 — — EP disclosed
WO-2006005980-A1 XANTHINE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-01-19 — — WO disclosed
EP-0037226-A2 Flame retardant silicone rubber compositions containing carboxamides Toray Silicone Co., Ltd. (JP) 1981-10-07 — — 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-20080319002-A1 Xanthine Derivatives a Useful as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 KDM1A 2899/4885LMNA 3683/4885HPGD 383/4885

“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.

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