SCHEMBL4806541

SCHEMBL4806541

O=C(NO)c1cc2c(CN[C@H]3C[C@@H]3c3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
KDM1A O60341 18/20 0.47
MAOA P21397 5/20 0.43
MAOB P27338 3/20 0.43
HDAC6 Q9UBN7 10/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL13986821 1.00 PPARG (0.49) PPARGKDM1AMAOAMAOBHDAC6
SCHEMBL4853818 1.00 PPARG (0.49) PPARGKDM1AMAOAMAOBHDAC6
SCHEMBL13986820 0.84 FSCN1 (0.34) PPARGHDAC6HDAC8HDAC1HDAC2
SCHEMBL4807285 0.84 FSCN1 (0.34) PPARGHDAC6HDAC8HDAC1HDAC2
SCHEMBL4807296 0.84 FSCN1 (0.34) PPARGHDAC6HDAC8HDAC1HDAC2
SCHEMBL4805060 0.82 BCHE (0.37) PPARGHDAC6HDAC1
SCHEMBL4805012 0.81 P2RX3 (0.41)
SCHEMBL4804480 0.81 BCHE (0.42) HDAC6HDAC1
SCHEMBL2943251 0.81 PPARG (0.43) PPARGHDAC6HDAC8HDAC1HDAC2
SCHEMBL2949469 0.80 FSCN1 (0.42) PPARGHDAC6HDAC8HDAC1HDAC2

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
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 PPARG 4290/4885KDM1A 622/4885MAOA 1413/4885

“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.