SCHEMBL21580108

SCHEMBL21580108

O=C(NCc1ccc(OCC2CCCCC2)cc1)c1ccn2ccnc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.60
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
SRC P12931 3/20 0.46
HDAC1 Q13547 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL21580130 0.99 NAMPT (0.59) NAMPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23691873 0.86 NAMPT (0.47) NAMPTPARP15PARP10
SCHEMBL21580147 0.79 NAMPT (0.65) NAMPTHDAC1
SCHEMBL21580047 0.78 SSTR4 (0.44) NAMPTPDE4D
SCHEMBL28409528 0.78 NAMPT (0.64) NAMPTHDAC1
SCHEMBL28410809 0.77 NAMPT (0.60) NAMPTHDAC1
SCHEMBL21580112 0.76 NAMPT (0.52) NAMPTHDAC1PARP15PARP10
SCHEMBL16108024 0.75 NAMPT (1.00) NAMPT
Hydrochloric Acid SCHEMBL5241522 0.75 PARP15 (0.57) PDE4APDE4BPDE4CPDE4DSRC
SCHEMBL15246208 0.74 NAMPT (0.68) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 US disclosed
WO-2019218024-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 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-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, TRPV3 NAMPT 1188/4885PDE4A 340/4885PDE4B 354/4885

“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.