SCHEMBL3825489

SCHEMBL3825489

N#Cc1ccc(C2NC(C(=O)O)CS2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
MAPT P10636 6/20 0.67
ALDH1A1 P00352 9/20 0.64
HSD17B10 Q99714 1/20 0.64
POLB P06746 2/20 0.54
S1PR3 Q99500 2/20 0.54
ALOX15 P16050 2/20 0.54
PKM P14618 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL7190331 1.00 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL7190326 1.00 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL3825492 1.00 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL16084531 0.87 KDM4E (0.84) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL3831165 0.83 ALDH1A1 (0.56) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL3831167 0.83 ALDH1A1 (0.56) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL10942667 0.83 ALDH1A1 (0.56) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL27756646 0.81 KDM4E (0.74) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL11373045 0.81 KDM4E (0.74) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL2034753 0.81 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10POLB

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-2099778-A2 AMIDO ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-16 EP disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 US disclosed
WO-2008064218-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 WO 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-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L KDM4E 2989/4885MAPT 52/4885ALDH1A1 4630/4885

“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.