SCHEMBL4806344

SCHEMBL4806344

O=C(c1cc2ccn(Cc3ccc(F)cc3)c2cn1)N(O)CCCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
EPHX2 P34913 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM2 Q14416 2/20 0.35
MMP13 P45452 1/20 0.34
CNR2 P34972 1/20 0.34
CACNA1H O95180 1/20 0.33
HTR6 P50406 1/20 0.33
PRKAA2 P54646 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
SCHEMBL4803736 0.89 MAOB (0.47) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL2950609 0.85 MAOB (0.51) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL4808291 0.84 MAOB (0.46) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL2948359 0.84 MAOB (0.46) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL4798552 0.81 MAOB (0.48) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL2951315 0.80 MAOB (0.54) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL13778769 0.79 MAOB (0.53) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL2948358 0.77 HDAC6 (0.60) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL4171550 0.76 MAOB (0.53) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL2945382 0.74 MAOB (0.49) MAOBHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MAOB 979/4885HDAC3 1812/4885HDAC1 626/4885

“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.