SCHEMBL3136087

SCHEMBL3136087

Nc1nc(-c2ccc3c(c2)COO3)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.62
MAPT P10636 13/20 0.62
SMN1; SMN2 Q16637 11/20 0.62
NPC1 O15118 10/20 0.58
ALDH1A1 P00352 12/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
AR P10275 1/20 0.49
GFER P55789 1/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL7368730 0.77 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL5329732 0.74 RAB9A (0.80) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL7238213 0.74 RAB9A (0.97) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL18114078 0.73 MAPT (0.65) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL7230888 0.72 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1771825 0.71 ALDH1A1 (0.79) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL23610361 0.69 ALDH1A1 (0.83) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL172246 0.69 ALDH1A1 (1.00) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL29654190 0.69 RAB9A (0.70) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL29085894 0.68 RAB9A (0.65) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1

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 4 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
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 (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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 487/4885MAPT 1615/4885SMN1; 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.