SCHEMBL6445392

SCHEMBL6445392

O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc(-c4ccc(F)cc4)no3)ccc(F)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 3/20 0.46
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 1/20 0.43
TACR3 P29371 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC4 P56524 1/20 0.40
GRM5 P41594 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
SCHEMBL6441471 0.96 MAPT (0.48) LMNAALDH1A1MEN1KMT2ACYP2C9
SCHEMBL6443639 0.85 CYP2C9 (0.46) LMNAALDH1A1MEN1KMT2ACYP2C9
SCHEMBL6442425 0.85 CYP2C9 (0.45) ALDH1A1CYP2C9MAPTSMN1; SMN2CYP3A4
SCHEMBL6442373 0.84 CYP2C9 (0.49) LMNAALDH1A1CYP2C9MAPTCYP3A4
SCHEMBL6445443 0.84 CYP2C9 (0.50) LMNAALDH1A1CYP2C9MAPTCYP3A4
SCHEMBL6442082 0.83 CYP2C9 (0.43) LMNAALDH1A1MEN1KMT2ACYP2C9
SCHEMBL6443777 0.83 CYP2C9 (0.49) LMNAALDH1A1CYP2C9CYP3A4NPC1
SCHEMBL6441736 0.83 CYP2C9 (0.53) ALDH1A1MEN1KMT2ACYP2C9CYP3A4
SCHEMBL6441380 0.82 CYP2C9 (0.47) LMNACYP2C9CYP3A4RAB9AALOX15
SCHEMBL6445237 0.82 CYP2C9 (0.49) LMNAALDH1A1CYP2C9MAPTSMN1; SMN2

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 LMNA 4635/4885ALDH1A1 1358/4885MEN1 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.