SCHEMBL19684923

SCHEMBL19684923

CCCCOc1cc(Br)c(F)cc1C(=O)NOP

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
SCN9A Q15858 1/20 0.39
PPARD Q03181 5/20 0.38
PPARA Q07869 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.37
SMPD1 P17405 2/20 0.36
CNR2 P34972 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL19684853 0.82 TSHR (0.51) THRATHRBKDM4EMEN1GAA
SCHEMBL20107955 0.81 CNR2 (0.50) HTTRECQLSCN9APPARDPPARA
SCHEMBL18021138 0.79 ESR1 (0.51) KMT2A
SCHEMBL22987098 0.76 SMN1; SMN2 (0.40) HTTRECQLKDM4EMEN1KMT2A
SCHEMBL12588846 0.76 SCN9A (0.41) HTTRECQLTHRATHRBSCN9A
SCHEMBL20107607 0.76 DHODH (0.47) HTTRECQL
SCHEMBL20107926 0.75 DHODH (0.53) HTTRECQL
SCHEMBL20471959 0.74 MAPT (0.37) HTTKDM4EMEN1GAAKMT2A
SCHEMBL20108206 0.72 DHODH (0.49) HTTRECQL
SCHEMBL878726 0.71 AAK1 (0.39) HTTTHRATHRBSCN9AKDM4E

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP HTT 3800/4885RECQL 1124/4885THRA 4351/4885

“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.