SCHEMBL5263973

SCHEMBL5263973

O=C(O)c1nc2c[c]ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
LMNA P02545 1/20 0.36
GLO1 Q04760 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL16986871 0.86 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL18230244 0.78 KDM4E (0.30) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL693161 0.74 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL836745 0.74 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL28727291 0.74 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL5262081 0.74 MAPT (0.31) RAB9ANPC1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL3610419 0.73 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL27714204 0.73 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL2926145 0.72 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL18050862 0.71 PSMB8 (0.41) SMN1; SMN2PKMMEN1MAPTKMT2A

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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 RAB9A 3249/4885NPC1 1026/4885SMN1; SMN2 1588/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH RAB9A 3495/4885NPC1 1345/4885SMN1; SMN2 1378/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG RAB9A 754/4885NPC1 660/4885SMN1; SMN2 2706/4885

“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.