Sugi Predict

Sugi Predict / Compounds / SCHEMBL4808249

SCHEMBL4808249

SCHEMBL4808249

O=C(NO)c1cc2c(CNCCCN3CCCC3=O)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ CASK O14936 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ FSCN1 Q16658 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL4805408 0.86 KDM4E (0.39) FSCN1KDM4ESMN1; SMN2HDAC3HDAC1
SCHEMBL4804946 0.85 MEN1 (0.43) KMT2AMEN1FSCN1KDM4EGAA
SCHEMBL4801984 0.83 HDAC1 (0.37) KMT2AMEN1FSCN1HDAC3HDAC4
SCHEMBL4808337 0.83 LMNA (0.40) SMN1; SMN2HDAC3TSHR
SCHEMBL4806775 0.82 KDM4E (0.41) KMT2AMEN1FSCN1KDM4EHTT
SCHEMBL4806136 0.81 ACKR3 (0.44) FSCN1NAMPTHDAC3HDAC4HDAC1
SCHEMBL4806355 0.81 CHEK1 (0.46) KMT2AFSCN1KDM4EHDAC1HDAC7
SCHEMBL5526756 0.81 USP7 (0.40) FSCN1KDM4ESMN1; SMN2HDAC3HDAC4
SCHEMBL4800237 0.80 MEN1 (0.40) KMT2AMEN1FSCN1KDM4EHTT
SCHEMBL4805424 0.80 FSCN1 (0.38) KMT2AFSCN1NAMPTHDAC3HDAC4

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 PKM 1971/4885CASK 4557/4885MERTK 3816/4885

“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.