SCHEMBL19899622

SCHEMBL19899622

Fc1ccc2nc(Nc3nnco3)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 3/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
NOTUM Q6P988 2/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34

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
SCHEMBL19899660 0.99 NPC1 (0.38) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL19914393 0.89 FAAH (0.40) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL19899596 0.83 ESR1 (0.44) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL19899642 0.83 NPC1 (0.36) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL19899502 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL19899666 0.83 S1PR3 (0.51) RAB9AMEN1MAPTKMT2AGAA
SCHEMBL19899531 0.82 NPC1 (0.37) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL19914359 0.82 NPBWR1 (0.41) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL19899788 0.80 CSNK2A2 (0.34) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL19900225 0.80 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2NPSR1MEN1

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 NPC1 114/4885RAB9A 1688/4885SMN1; SMN2 4315/4885

“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.