SCHEMBL3139632

SCHEMBL3139632

Nc1nc(C2(c3ccccc3)CCCC2)cs1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.73
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP3A4 P08684 1/20 0.41
GPR55 Q9Y2T6 1/20 0.39
MAPK1 P28482 1/20 0.38
NOS1 P29475 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8281533 0.98 BACE1 (0.71) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8279670 0.93 BACE1 (0.63) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8280713 0.91 BACE1 (0.70) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14433489 0.87 BACE1 (0.58) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8281540 0.87 BACE1 (0.78) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6544448 0.86 BACE1 (0.56) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8280835 0.84 BACE1 (1.00) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8280899 0.84 BACE1 (0.74) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8280834 0.84 BACE1 (0.74) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8282517 0.84 BACE1 (0.74) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A

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 9 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
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 US disclosed
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
WO-2005097767-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2005-10-20 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 (3 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-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors BACE2, BACE1, APP BACE1 2/4885ALDH1A1 1717/4885SMN1; SMN2 2512/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 BACE1 1358/4885ALDH1A1 4423/4885SMN1; SMN2 1431/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 BACE1 1358/4885ALDH1A1 4423/4885SMN1; SMN2 1431/4885

“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.