SCHEMBL6441471

SCHEMBL6441471

O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc(-c4ccccc4)no3)ccc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CYP2C9 P11712 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAOA P21397 1/20 0.42
BLVRB P30043 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6445392 0.96 LMNA (0.52) MAPTCYP2C9SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6443639 0.88 CYP2C9 (0.46) MAPTCYP2C9SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6442425 0.88 CYP2C9 (0.45) MAPTCYP2C9SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6441736 0.87 CYP2C9 (0.53) CYP2C9CYP3A4CYP1A2ALDH1A1MEN1
SCHEMBL6442373 0.87 CYP2C9 (0.49) MAPTCYP2C9CYP3A4CYP1A2LMNA
SCHEMBL6445443 0.86 CYP2C9 (0.50) MAPTCYP2C9CYP3A4CYP1A2LMNA
SCHEMBL6442082 0.85 CYP2C9 (0.43) MAPTCYP2C9SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6443777 0.85 CYP2C9 (0.49) CYP2C9CYP3A4CYP1A2LMNAALDH1A1
SCHEMBL6441380 0.84 CYP2C9 (0.47) CYP2C9CYP3A4CYP1A2LMNARAB9A
SCHEMBL6445237 0.84 CYP2C9 (0.49) MAPTCYP2C9SMN1; SMN2CYP3A4CYP1A2

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 MAPT 2659/4885CYP2C9 2370/4885SMN1; SMN2 4831/4885

“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.