SCHEMBL6445540

SCHEMBL6445540

O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc4ccccc4[nH]3)ccc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2B6 P20813 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2B P41595 3/20 0.42
LANCL2 Q9NS86 1/20 0.42
ATR Q13535 5/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
FASN P49327 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6445369 0.91 CYP2C9 (0.49) CYP2C9CYP3A4MEN1KMT2ACYP2C19
SCHEMBL6440885 0.88 CYP2C9 (0.47) CYP2C9CYP3A4KMT2ACYP2C19CYP2D6
SCHEMBL6442552 0.85 CYP2C9 (0.53) CYP2C9CYP3A4KMT2ACYP2C19CYP2D6
SCHEMBL6441736 0.83 CYP2C9 (0.53) CYP2C9CYP3A4MEN1KMT2ACYP2C19
SCHEMBL6445442 0.82 CYP2C9 (0.48) CYP2C9CYP3A4MEN1KMT2ACYP2C19
SCHEMBL6445777 0.82 CYP2C9 (0.50) CYP2C9CYP3A4MEN1KMT2ACYP2C19
SCHEMBL6445408 0.82 CYP2C9 (0.50) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL6442509 0.82 CYP2C9 (0.47) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL6443074 0.82 CYP2C9 (0.55) CYP2C9CYP3A4KMT2ACYP2C19CYP2D6
SCHEMBL6445398 0.82 CYP2C9 (0.55) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2

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 5 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-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 CYP2C9 2370/4885CYP3A4 469/4885MEN1 4871/4885

“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.