Sugi Predict

Sugi Predict / Compounds / SCHEMBL4808381

SCHEMBL4808381

SCHEMBL4808381

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.44
▸ FSCN1 Q16658 1/20 0.39
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HAT1 O14929 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ MET P08581 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
SCHEMBL4799992 0.89 PPARG (0.43) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL4805925 0.87 PPARG (0.40) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL13986822 0.87 PPARG (0.42) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL4807232 0.87 PPARG (0.42) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL4807506 0.86 PPARG (0.37) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL4806747 0.85 PPARG (0.41) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL4806499 0.85 TRPV3 (0.39) PPARGFSCN1
SCHEMBL4799915 0.84 TRPV3 (0.38) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL4806669 0.84 PPARG (0.40) PPARGFSCN1HDAC1HDAC6HDAC3
SCHEMBL2949469 0.83 FSCN1 (0.42) PPARGFSCN1HDAC1HDAC6HDAC3

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 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.