SCHEMBL6445472

SCHEMBL6445472

O=C(C(=O)N1CCN(C(=O)c2ccccn2)CC1)c1c[nH]c2c(-c3nnn(C(F)F)n3)ccc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 2/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
KCNH2 Q12809 1/20 0.37
PARP1 P09874 5/20 0.36
GAA P10253 2/20 0.35
RBP4 P02753 2/20 0.34
HTT P42858 1/20 0.33
RAB9A P51151 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
SCHEMBL6442530 0.84 L3MBTL1 (0.43) L3MBTL1CYP2C9CYP3A4DPP4DPP9
SCHEMBL6443103 0.84 L3MBTL1 (0.42) L3MBTL1CYP2C9CYP3A4DPP4DPP9
SCHEMBL6441836 0.81 L3MBTL1 (0.41) L3MBTL1CYP2C9CYP3A4DPP4DPP9
SCHEMBL6441424 0.79 L3MBTL1 (0.49) L3MBTL1CYP2C9CYP3A4DPP4DPP9
SCHEMBL6441395 0.79 L3MBTL1 (0.39) L3MBTL1CYP2C9CYP3A4DPP4DPP9
SCHEMBL6443074 0.78 CYP2C9 (0.55) CYP2C9CYP3A4CYP2C19CYP1A2CYP2C8
SCHEMBL6441276 0.77 CYP2C9 (0.51) CYP2C9CYP3A4CYP2C19CYP1A2CYP2C8
SCHEMBL6442558 0.77 CYP2C9 (0.49) L3MBTL1CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL6473347 0.76 CYP2C9 (0.47) L3MBTL1CYP2C9CYP3A4DPP4DPP9
SCHEMBL6443079 0.76 L3MBTL1 (0.46) L3MBTL1CYP2C9CYP3A4DPP4DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002004440-A9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-11-03 WO claimed
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US claimed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US claimed

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-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA L3MBTL1 4725/4885CYP2C9 2370/4885CYP3A4 469/4885

“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.