SCHEMBL3140672

SCHEMBL3140672

Nc1nc(-c2ccc(C(=S)NC3CC3)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.58
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 3/20 0.52
LTA4H P09960 5/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
RAB9A P51151 8/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
LMNA P02545 2/20 0.46
ALOX5 P09917 1/20 0.46
NOS1 P29475 1/20 0.46
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL3135735 0.83 MAPK14 (0.74) MAPK14ALDH1A1KDM4ELTA4HMKNK1
SCHEMBL3826132 0.78 MAPK14 (0.68) MAPK14ALDH1A1KDM4ELTA4HMKNK1
Trifluoroacetic Acid SCHEMBL3143042 0.76 MAPK14 (0.65) MAPK14ALDH1A1KDM4ELTA4HMKNK1
SCHEMBL5123299 0.74 MAPK14 (1.00) MAPK14
SCHEMBL1771825 0.73 ALDH1A1 (0.79) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL23610361 0.71 ALDH1A1 (0.83) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL3831800 0.69 MAPK14 (0.57) MAPK14ALDH1A1KDM4ERAB9AMAPT
SCHEMBL3135726 0.69 MAPK14 (0.57) MAPK14ALDH1A1KDM4ERAB9ANPC1
SCHEMBL8173189 0.69 ALDH1A1 (0.65) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL3134414 0.69 KDM4E (1.00) ALDH1A1KDM4ELTA4HMKNK1MKNK2

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-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (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 MAPK14 4045/4885ALDH1A1 4423/4885KDM4E 838/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 MAPK14 4045/4885ALDH1A1 4423/4885KDM4E 838/4885

“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.