SCHEMBL19899666

SCHEMBL19899666

Clc1ccc2nc(Nc3nnco3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.51
FBP1 P09467 2/20 0.47
PIK3CG P48736 1/20 0.46
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR1 P21453 5/20 0.43
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
BACE1 P56817 1/20 0.42
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL19899756 0.89 KCNH2 (0.52) FBP1MAPTPSMB8KCNH2MEN1
SCHEMBL19899642 0.83 NPC1 (0.36) S1PR3FBP1MAPTRAB9AMEN1
SCHEMBL19899502 0.83 NPC1 (0.44) S1PR3PIK3CGMAPTRAB9ABACE1
SCHEMBL19899596 0.83 ESR1 (0.44) RAB9AGAA
SCHEMBL19899622 0.83 NPC1 (0.38) S1PR3MAPTRAB9AS1PR1BACE1
SCHEMBL19899752 0.82 HDAC7 (0.44) S1PR3FBP1MAPTRAB9AKCNH2
SCHEMBL19899660 0.82 NPC1 (0.38) S1PR3MAPTRAB9AS1PR1BACE1
SCHEMBL19899788 0.80 CSNK2A2 (0.34) S1PR3MAPTRAB9AGAA
SCHEMBL19914359 0.80 NPBWR1 (0.41) MAPTRAB9ABACE1MEN1GAA
SCHEMBL19900225 0.80 ALDH1A1 (0.40) S1PR3MAPTRAB9AS1PR1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US claimed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP claimed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO claimed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 S1PR3 4068/4885FBP1 724/4885PIK3CG 1306/4885

“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.