SCHEMBL13523985

SCHEMBL13523985

CCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
HSD17B10 Q99714 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
KDM1A O60341 1/20 0.54
RCOR1 Q9UKL0 1/20 0.54
KCNQ1 P51787 1/20 0.54
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CTRB1 P17538 1/20 0.51
GFER P55789 1/20 0.51
CNR2 P34972 1/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PRCP P42785 1/20 0.49

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
SCHEMBL3135595 1.00 KDM4E (0.60) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL3148225 0.92 KDM4E (0.57) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL13524106 0.92 KDM4E (0.57) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL3148206 0.92 LMNA (0.59) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL13524034 0.92 LMNA (0.59) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL3135634 0.92 LMNA (0.59) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL3134151 0.91 LMNA (0.58) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL13713000 0.90 KDM1A (0.58) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL3143756 0.90 KDM1A (0.58) KDM4ELMNAHSD17B10NPSR1KDM1A
SCHEMBL3144327 0.90 KCNQ1 (0.57) KDM4ELMNAHSD17B10NPSR1KDM1A

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
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 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 (2 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 838/4885LMNA 1094/4885HSD17B10 4112/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 838/4885LMNA 1094/4885HSD17B10 4112/4885

“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.