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SCHEMBL4798552

SCHEMBL4798552

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ EPHX2 P34913 3/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ PPARG P37231 3/20 0.37
▸ CACNA1H O95180 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL2950609 0.89 MAOB (0.51) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL4808291 0.88 MAOB (0.46) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL4803736 0.84 MAOB (0.47) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL13778769 0.83 MAOB (0.53) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL2951315 0.82 MAOB (0.54) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL4806344 0.81 MAOB (0.46) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL2948359 0.81 MAOB (0.46) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL4171550 0.80 MAOB (0.53) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL2948358 0.79 HDAC6 (0.60) MAOBHDAC8HDAC6HDAC3HDAC1
SCHEMBL2945382 0.78 MAOB (0.49) MAOBHDAC8HDAC6HDAC3HDAC1

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
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 — — US 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
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 — — EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 — — US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 — — 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MAOB 979/4885HDAC8 2180/4885HDAC6 1926/4885

“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.