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.

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