Sugi Predict

Sugi Predict / Compounds / SCHEMBL4807296

SCHEMBL4807296

SCHEMBL4807296

O=C(NO)c1cc2c(CN[C@@H]3C[C@@H]4CC[C@@H]3C4)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FSCN1 Q16658 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NAE1 Q13564 1/20 0.34
▸ UBA3 Q8TBC4 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ HDAC1 Q13547 4/20 0.33
▸ MET P08581 1/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ SLC22A2 O15244 3/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 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
SCHEMBL4807285 1.00 FSCN1 (0.34) FSCN1PPARGNAE1UBA3SAE1
SCHEMBL13986820 1.00 FSCN1 (0.34) FSCN1PPARGNAE1UBA3SAE1
SCHEMBL13986821 0.84 PPARG (0.49) PPARGHDAC1HDAC6HDAC2HDAC8
SCHEMBL4853818 0.84 PPARG (0.49) PPARGHDAC1HDAC6HDAC2HDAC8
SCHEMBL4806541 0.84 PPARG (0.49) PPARGHDAC1HDAC6HDAC2HDAC8
SCHEMBL4805012 0.83 P2RX3 (0.41) FSCN1GRIN2BSIGMAR1BCHEACHE
SCHEMBL4804480 0.82 BCHE (0.42) FSCN1GRIN2BGPBAR1ACKR3HDAC1
SCHEMBL4805060 0.82 BCHE (0.37) FSCN1PPARGNAE1UBA3SAE1
SCHEMBL4807251 0.81 DGAT2 (0.36) FSCN1BCHEACHEBACE1
SCHEMBL4807266 0.81 BCHE (0.35) FSCN1PPARGNAE1UBA3SAE1

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 FSCN1 4841/4885PPARG 4290/4885NAE1 452/4885

“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.