SCHEMBL19899563

SCHEMBL19899563

Clc1ccc2nc(Nc3nc4cnccc4o3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.51
FBP1 P09467 1/20 0.47
PIK3CG P48736 1/20 0.46
SNCA P37840 1/20 0.45
S1PR1 P21453 4/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
KCNH2 Q12809 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41

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
SCHEMBL19899794 0.90 KCNH2 (0.53) S1PR3FBP1S1PR1RAB9AMAPT
SCHEMBL19914320 0.78 KCNH2 (0.40) S1PR3FBP1S1PR1RAB9APSMB8
SCHEMBL21130409 0.77 NPC1 (0.44) RAB9AMAPTMEN1GAAKMT2A
SCHEMBL24176709 0.76 S1PR3 (0.50) S1PR3FBP1PIK3CGS1PR1RAB9A
SCHEMBL19899552 0.75 FAAH (0.41) FBP1RAB9AMAPTMEN1KMT2A
SCHEMBL19899639 0.74 S1PR3 (0.51) S1PR3FBP1PIK3CGS1PR1RAB9A
SCHEMBL19914235 0.74 S1PR3 (0.51) S1PR3FBP1PIK3CGS1PR1RAB9A
SCHEMBL19899666 0.74 S1PR3 (0.51) S1PR3FBP1PIK3CGS1PR1RAB9A
SCHEMBL19914392 0.74 LATS1 (0.36) RAB9AMAPTMEN1GAAKMT2A
SCHEMBL18028787 0.73 S1PR3 (0.60) S1PR3FBP1PIK3CGS1PR1RAB9A

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-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.