SCHEMBL3129591

SCHEMBL3129591

Nc1nc(-c2ccc(Oc3ccc(Br)cc3)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 1.00
RAB9A P51151 9/20 0.80
MAPT P10636 7/20 0.80
NPC1 O15118 6/20 0.80
SMN1; SMN2 Q16637 6/20 0.80
ALDH1A1 P00352 10/20 0.65
POLB P06746 1/20 0.65
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
ALOX5 P09917 1/20 0.56
HPGD P15428 1/20 0.54
HK1 P19367 1/20 0.54
HKDC1 Q2TB90 1/20 0.54

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
SCHEMBL428793 0.91 RAB9A (0.96) LTA4HRAB9AMAPTNPC1SMN1; SMN2
Bromide SCHEMBL4433292 0.89 RAB9A (1.00) LTA4HRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL6256294 0.84 RAB9A (1.00) LTA4HRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4095582 0.83 LTA4H (0.83) LTA4HRAB9AMAPTNPC1SMN1; SMN2
Iodide SCHEMBL5464284 0.83 RAB9A (0.97) LTA4HRAB9AMAPTNPC1SMN1; SMN2
Iodide SCHEMBL5459815 0.83 RAB9A (0.97) LTA4HRAB9AMAPTNPC1SMN1; SMN2
Iodide SCHEMBL5455207 0.81 RAB9A (0.90) LTA4HRAB9AMAPTNPC1SMN1; SMN2
Iodide SCHEMBL5460253 0.81 RAB9A (0.71) LTA4HRAB9AMAPTNPC1SMN1; SMN2
Iodide SCHEMBL5456843 0.81 LTA4H (0.97) LTA4HRAB9AMAPTNPC1SMN1; SMN2
Iodide SCHEMBL5460208 0.81 RAB9A (0.87) LTA4HRAB9AMAPTNPC1SMN1; SMN2

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 5 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
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 LTA4H 4415/4885RAB9A 487/4885MAPT 1615/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 LTA4H 4415/4885RAB9A 487/4885MAPT 1615/4885

“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.