Sugi Predict

Sugi Predict / Compounds / SCHEMBL4805060

SCHEMBL4805060

SCHEMBL4805060

O=C(NO)c1cc2c(CNC3C[C@H]4CC[C@@H](C3)N4C(=O)O)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ FSCN1 Q16658 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ PPARG P37231 3/20 0.34
▸ GRIN2B Q13224 2/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ MET P08581 1/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ NAE1 Q13564 1/20 0.32
▸ UBA3 Q8TBC4 1/20 0.32
▸ SAE1 Q9UBE0 1/20 0.32
▸ UBA2 Q9UBT2 1/20 0.32
▸ SLC22A2 O15244 3/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC4 P56524 1/20 0.32

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
SCHEMBL13986825 0.90 CHRM1 (0.44) BCHEACHEBACE1GPBAR1FSCN1
SCHEMBL4805012 0.85 P2RX3 (0.41) BCHEACHEBACE1FSCN1SIGMAR1
SCHEMBL4804480 0.85 BCHE (0.42) BCHEACHEBACE1GPBAR1FSCN1
SCHEMBL4807266 0.83 BCHE (0.35) BCHEACHEBACE1GPBAR1FSCN1
SCHEMBL4807251 0.83 DGAT2 (0.36) BCHEACHEBACE1FSCN1
SCHEMBL4806541 0.82 PPARG (0.49) PPARGHDAC1HDAC6
SCHEMBL4807285 0.82 FSCN1 (0.34) BCHEACHEBACE1GPBAR1FSCN1
SCHEMBL4807296 0.82 FSCN1 (0.34) BCHEACHEBACE1GPBAR1FSCN1
SCHEMBL4853818 0.82 PPARG (0.49) PPARGHDAC1HDAC6
SCHEMBL13986821 0.82 PPARG (0.49) PPARGHDAC1HDAC6

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 BCHE 928/4885ACHE 695/4885BACE1 87/4885

“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.