SCHEMBL6441346

SCHEMBL6441346

O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc(CS(=O)(=O)Cc4ccco4)no3)ccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 3/20 0.35
S1PR1 P21453 2/20 0.35
PKM P14618 2/20 0.34
MGLL Q99685 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL6507961 0.86 LMNA (0.40) LMNAMEN1POLBKMT2AKCNH2
SCHEMBL6442425 0.84 CYP2C9 (0.45) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL6442082 0.82 CYP2C9 (0.43) LMNAMEN1POLBKMT2ACYP2C9
SCHEMBL6441471 0.81 MAPT (0.48) LMNAMEN1KMT2ACYP2C9CYP3A4
SCHEMBL6441342 0.81 CYP2C9 (0.41) LMNAMEN1KMT2ACYP2C9CYP3A4
SCHEMBL6445392 0.79 LMNA (0.52) LMNAMEN1KMT2ACYP2C9CYP3A4
SCHEMBL6441178 0.79 CYP2C9 (0.42) LMNAMEN1KMT2ACYP2C9CYP3A4
SCHEMBL6441271 0.78 CYP2C9 (0.40) LMNAMEN1KMT2ACYP2C9CYP3A4
SCHEMBL6441460 0.78 CYP2C9 (0.41) LMNAKMT2ACYP2C9CYP3A4CYP2D6
SCHEMBL6446756 0.77 CYP2C9 (0.51) POLBKMT2ACYP2C9CYP3A4CYP2D6

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 3 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
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 LMNA 4635/4885MEN1 4871/4885POLB 370/4885

“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.