SCHEMBL2988870

SCHEMBL2988870

CN(C)CCOc1ccc(-c2c(-c3ccccc3)c3sc(C(=O)O)cc3n2CC(=O)N(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ITGA4 P13612 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LSS P48449 1/20 0.39
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.39
HCRTR1 O43613 1/20 0.38
ESR1 P03372 5/20 0.37
LTA4H P09960 2/20 0.37
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ESR2 Q92731 2/20 0.37

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
SCHEMBL424913 0.88 NR4A2 (0.46)
SCHEMBL423331 0.88 TSPO (0.43) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL422946 0.88 SMN1; SMN2 (0.41)
SCHEMBL2997718 0.87 GRIN2B (0.40) KDM4EALDH1A1
SCHEMBL2987941 0.84 GRIN2B (0.38)
SCHEMBL2988868 0.83 ESR1 (0.39) KDM4EALDH1A1ESR1CHEK1
SCHEMBL2998268 0.82 GRIN2B (0.35) ALDH1A1
SCHEMBL2996784 0.81 HSD17B2 (0.42)
SCHEMBL426003 0.81 EGFR (0.46) LTA4H
SCHEMBL3000683 0.80 GRIN2B (0.43)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US claimed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT KDM4E 3250/4885ITGA4 1808/4885NAPEPLD 866/4885

“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.