SCHEMBL31724971

SCHEMBL31724971

COC(=O)c1ccc(CNc2ccc3ccccc3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.70
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
DRD2 P14416 1/20 0.53
TBXA2R P21731 1/20 0.53
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
NOTUM Q6P988 1/20 0.45

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
SCHEMBL19617458 1.00 HDAC6 (0.70) HDAC6NPC1RAB9ACA1CA2
SCHEMBL19631282 0.83 HDAC6 (1.00) HDAC6NPC1RAB9A
SCHEMBL29523322 0.81 NPC1 (0.59) HDAC6NPC1RAB9APOLBMAPT
SCHEMBL21682139 0.81 NPC1 (0.59) HDAC6NPC1RAB9APOLBMAPT
SCHEMBL21369314 0.81 HDAC1 (0.59) HDAC6NPC1RAB9ACA1CA2
SCHEMBL19616650 0.80 NPC1 (0.74) HDAC6NPC1RAB9APOLBMAPT
SCHEMBL31725147 0.80 NPC1 (0.74) HDAC6NPC1RAB9APOLBMAPT
SCHEMBL19616998 0.79 HDAC6 (0.60) HDAC6NPC1RAB9ACA1CA2
SCHEMBL31725209 0.79 HDAC6 (0.60) HDAC6NPC1RAB9ACA1CA2
SCHEMBL22926769 0.79 NPC1 (0.63) HDAC6NPC1RAB9APOLBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346563-A1 HISTONE DEACETYLASE 6 INHIBITORS AND METHOD FOR TREATING NEUROPATHIC PAIN UNIV TAIPEI MEDICAL (TW) 2025-11-13 US 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-20250346563-A1 HISTONE DEACETYLASE 6 INHIBITORS AND METHOD FOR TREATING NEUROPATHIC PAIN HDAC1, HDAC3, HDAC5 HDAC6 4/4885NPC1 1951/4885RAB9A 3556/4885

“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.