SCHEMBL3827477

SCHEMBL3827477

O=C(O)[C@@H]1CCC(c2ccncc2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.39
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2B P29275 3/20 0.33
ADORA2A P29274 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADORA1 P30542 1/20 0.33
VCP P55072 1/20 0.33

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
SCHEMBL3832352 1.00 NAPRT (0.39) NAPRTMAPTHSD17B10ALDH1A1DGAT2
SCHEMBL9542642 0.86 RAB9A (0.39) MAPTDGAT2PRKAG1PRKAA2PRKAB1
SCHEMBL14328250 0.86 RAB9A (0.39) MAPTDGAT2PRKAG1PRKAA2PRKAB1
SCHEMBL18114343 0.83 MIF (0.41) MAPTPRKAG1PRKAA2PRKAB1MAOA
SCHEMBL22534057 0.83 MIF (0.41) MAPTPRKAG1PRKAA2PRKAB1MAOA
SCHEMBL5885783 0.81 POLB (0.49) ALDH1A1PRKAG1PRKAA2PRKAB1CYP3A4
SCHEMBL4505849 0.81 L3MBTL1 (0.43) MAPTALDH1A1PRKAG1PRKAA2PRKAB1
Hydrochloric Acid SCHEMBL22534094 0.81 MIF (0.40) MAPTPRKAG1PRKAA2PRKAB1MAOA
Hydrochloric Acid SCHEMBL22534093 0.81 MIF (0.40) MAPTPRKAG1PRKAA2PRKAB1MAOA
SCHEMBL4505854 0.81 L3MBTL1 (0.43) MAPTALDH1A1PRKAG1PRKAA2PRKAB1

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 NAPRT 2028/4885MAPT 52/4885HSD17B10 4331/4885

“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.