SCHEMBL19899752

SCHEMBL19899752

Clc1cc2nc(Nc3nnco3)oc2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
C1R P00736 2/20 0.35
KCNH2 Q12809 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
FBP1 P09467 2/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19914279 0.89 HDAC7 (0.36) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19899778 0.89 HDAC7 (0.36) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19899499 0.89 HDAC7 (0.36) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19899611 0.85 NOTUM (0.41) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19914240 0.85 NOTUM (0.41) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19899666 0.82 S1PR3 (0.51) RAB9AKCNH2GAAMEN1KMT2A
SCHEMBL19899756 0.82 KCNH2 (0.52) KCNH2GAAMEN1KMT2AMAPT
SCHEMBL19899657 0.82 PGK1 (0.40) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19899791 0.82 PGK1 (0.40) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19899531 0.82 NPC1 (0.37) NPC1RAB9AC1RGAAMEN1

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 4 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

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 HDAC7 1569/4885HDAC11 1033/4885HDAC8 2949/4885

“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.