SCHEMBL6443103

SCHEMBL6443103

O=C(C(=O)N1CCN(C(=O)c2ccccn2)CC1)c1c[nH]c2c(-c3nn[nH]n3)ccc(F)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
CYP2C9 P11712 2/20 0.41
PARP1 P09874 7/20 0.40
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.38
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 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
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTT P42858 1/20 0.35
RBP4 P02753 1/20 0.34
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL6442520 0.89 CYP2C9 (0.50) CYP2C9PARP1CYP3A4CYP1A2CYP2C8
SCHEMBL6442483 0.88 CYP2C19 (0.48) L3MBTL1CYP2C9PARP1CYP3A4CYP2D6
SCHEMBL6442488 0.88 CYP2C19 (0.48) L3MBTL1CYP2C9PARP1CYP3A4CYP2D6
SCHEMBL6442530 0.85 L3MBTL1 (0.43) L3MBTL1CYP2C9PARP1CYP3A4GAA
SCHEMBL6445472 0.84 L3MBTL1 (0.40) L3MBTL1CYP2C9PARP1CYP3A4GAA
SCHEMBL6441836 0.83 L3MBTL1 (0.41) L3MBTL1CYP2C9PARP1CYP3A4GAA
SCHEMBL6446684 0.83 PARP1 (0.34) L3MBTL1PARP1DPP4DPP9KDM4E
SCHEMBL6446681 0.83 PARP1 (0.34) L3MBTL1PARP1DPP4DPP9KDM4E
SCHEMBL6446703 0.83 GPR35 (0.39) CYP2C9PARP1CYP3A4GAAALDH1A1
SCHEMBL6442499 0.83 RAB9A (0.50) L3MBTL1CYP2C9PARP1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 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
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP claimed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO 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 2370/4885PARP1 734/4885

“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.