SCHEMBL19631407

SCHEMBL19631407

O=C(O)c1ccc(Nc2cccc3cccnc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.75
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
KDR P35968 3/20 0.57
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.51
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL19631351 0.86 HDAC6 (1.00) HDAC6NPC1RAB9AGAAKDR
SCHEMBL19616872 0.85 HDAC6 (0.70) HDAC6RAB9AKDM4EKDRMAPT
SCHEMBL341142 0.82 SLC40A1 (0.62) HDAC6NPC1RAB9AKDM4EKDR
SCHEMBL9702768 0.81 HDAC6 (0.65) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL6018270 0.79 HDAC6 (0.77) HDAC6GAAKDM4EKDRMEN1
SCHEMBL24522570 0.78 MAPT (0.67) HDAC6NPC1RAB9AKDM4EMEN1
SCHEMBL22926774 0.78 HDAC6 (0.61) HDAC6NPC1RAB9AGAAKDR
SCHEMBL5357863 0.78 DNMT1 (0.61) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL12964661 0.78 SLC40A1 (0.75) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL10505456 0.78 ALDH1A1 (0.60) HDAC6RAB9AKDM4EKDRMEN1

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
EP-3458444-B1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF UNIV TAIPEI MEDICAL (TW) 2022-06-22 EP disclosed
WO-2021013163-A1 HISTONE DEACETYLASE 6 INHIBITORS AND METHOD FOR TREATING NEUROPATHIC PAIN TAIPEI MEDICAL UNIVERSITY (CN) 2021-01-28 WO disclosed
US-20190284141-A1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF DCB-USA LLC (US) 2019-09-19 US disclosed
WO-2017200966-A1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF DCB-USA LLC (US) 2017-11-23 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-20190284141-A1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF HDAC1, HDAC11, HDAC7 HDAC6 7/4885NPC1 791/4885RAB9A 3537/4885

“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.