SCHEMBL5519092

SCHEMBL5519092

O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc(O)nc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.48
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL5519098 1.00 GABRA5 (0.48) GABRA5PARP15PARP10PARP2NR1H4
SCHEMBL5532800 0.89 GABRA5 (0.46) GABRA5HDAC3HDAC4HDAC1HDAC7
SCHEMBL5532805 0.89 GABRA5 (0.46) GABRA5HDAC3HDAC4HDAC1HDAC7
SCHEMBL5521806 0.85 HDAC3 (0.51) PARP15PARP10PARP2NR1H4HDAC3
SCHEMBL5521812 0.85 HDAC3 (0.51) PARP15PARP10PARP2NR1H4HDAC3
SCHEMBL5523321 0.85 HDAC3 (0.51) PARP15PARP10PARP2NR1H4HDAC3
SCHEMBL5525010 0.82 ACACB (0.48)
SCHEMBL5525008 0.82 ACACB (0.48)
SCHEMBL12020459 0.81 GABRA5 (0.52) GABRA5HDAC3HDAC4HDAC1HDAC7
SCHEMBL5526237 0.80 CXCR3 (0.54) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A GABRA5 35/4885PARP15 3115/4885PARP10 3349/4885

“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.