SCHEMBL6445164

SCHEMBL6445164

O=C(C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1c[nH]c2c(-c3ncon3)ccc(F)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.40
CYP2C9 P11712 1/20 0.40
TNFSF11 O14788 1/20 0.39
TNF P01375 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL6464524 0.88 CYP2C9 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6442925 0.87 CYP2C9 (0.52) KDM4ELMNAALDH1A1CYP2C9CYP3A4
SCHEMBL6442530 0.80 L3MBTL1 (0.43) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL12215219 0.78 CYP2C9 (0.37) KDM4EKMT2ALMNAALDH1A1CYP2C9
SCHEMBL12215218 0.77 ALDH1A1 (0.41) KDM4EKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL6444064 0.77 CYP2D6 (0.55) CYP2C9CYP3A4
SCHEMBL6444069 0.77 CYP2D6 (0.55) CYP2C9CYP3A4
SCHEMBL6442373 0.75 CYP2C9 (0.49) KDM4ELMNAALDH1A1CYP2C9CYP3A4
SCHEMBL12751535 0.75 CYP2C9 (0.38) KDM4EKMT2ALMNAALDH1A1CYP2C9
SCHEMBL12215174 0.75 AKT1 (0.44)

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 7 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 disclosed
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP disclosed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP disclosed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US disclosed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US disclosed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP disclosed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 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-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA KDM4E 1655/4885RXFP1 4754/4885KMT2A 3411/4885

“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.