SCHEMBL19899596

SCHEMBL19899596

Oc1ccc2nc(Nc3nnco3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.44
ESR2 Q92731 13/20 0.44
APP P05067 3/20 0.40
STS P08842 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL19899622 0.83 NPC1 (0.38) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL19899666 0.83 S1PR3 (0.51) RAB9AGAA
SCHEMBL19899642 0.83 NPC1 (0.36) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL19899502 0.83 NPC1 (0.44) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL19899788 0.82 CSNK2A2 (0.34) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL19899660 0.82 NPC1 (0.38) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL19899790 0.81 TTR (0.45) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL19900225 0.80 ALDH1A1 (0.40) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL19914359 0.80 NPBWR1 (0.41) NPC1RAB9AALDH1A1GAAPKM
SCHEMBL21066436 0.79 RAB9A (0.58) NPC1RAB9AALDH1A1GAAPKM

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 ESR1 559/4885ESR2 587/4885APP 2732/4885

“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.