SCHEMBL22601458

SCHEMBL22601458

CCCCCCCC(C)(C)c1ncccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.41
CNR1 P21554 8/20 0.41
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 5/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL18994861 0.87 KDM4E (0.33) TLR8KDM4ELMNAKMT2ATDP1
SCHEMBL20427999 0.81 KDM4E (0.35) CNR2TLR8TLR7KDM4ELMNA
SCHEMBL20609516 0.80 TDP1 (0.40) KDM4ELMNAMEN1KMT2ATDP1
SCHEMBL10486703 0.77 CNR2 (0.39) CNR2CNR1
SCHEMBL23479286 0.75 TDP1 (0.33) KDM4ELMNATDP1HTTSMN1; SMN2
SCHEMBL21719287 0.75 CNR2 (0.36) CNR2CNR1
SCHEMBL30686523 0.75 DPP4 (0.40) LMNAKMT2ASMN1; SMN2
SCHEMBL22024369 0.74 CNR2 (0.41) CNR2CNR1TLR8KDM4ELMNA
SCHEMBL18793227 0.74 CNR2 (0.41) CNR2CNR1TLR8KDM4ELMNA
SCHEMBL22174182 0.73 CNR2 (0.41) CNR2CNR1KDM4ELMNAMEN1

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CNR2 4755/4885CNR1 4518/4885TLR8 2219/4885

“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.