SCHEMBL4806747

SCHEMBL4806747

O=C(NO)c1cc2c(CNCC(O)c3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.41
FSCN1 Q16658 1/20 0.37
HDAC1 Q13547 8/20 0.35
HDAC3 O15379 6/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC4 P56524 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC2 Q92769 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
HASPIN Q8TF76 1/20 0.34

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
SCHEMBL4807596 0.89 PPARG (0.38) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL4799992 0.86 PPARG (0.43) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL4807232 0.85 PPARG (0.42) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL13986822 0.85 PPARG (0.42) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL4808381 0.85 PPARG (0.44) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL4801984 0.84 HDAC1 (0.37) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL4800089 0.84 HASPIN (0.41) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL4799272 0.83 KMT2A (0.42) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL4804475 0.83 HDAC6 (0.37) PPARGFSCN1HDAC1HDAC3HDAC6
SCHEMBL2943251 0.82 PPARG (0.43) PPARGFSCN1HDAC1HDAC3HDAC6

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 10 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
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 4290/4885FSCN1 4841/4885HDAC1 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.