SCHEMBL19684924

SCHEMBL19684924

CCCCOc1cc(Br)cc2c1C(=O)NCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.41
PARP11 Q9NR21 2/20 0.41
PARP1 P09874 3/20 0.38
PTPN1 P18031 2/20 0.37
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TRPM2 O94759 1/20 0.35
CNR2 P34972 2/20 0.35
PDE4A P27815 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
CDC7 O00311 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 2/20 0.33
TNF P01375 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
SCHEMBL21593493 0.88 PARP10 (0.44) PARP10PARP11PARP1PDE4ALMNA
SCHEMBL21593327 0.80 PARP10 (0.47) PARP10PARP11PARP1PDE4BMAPT
SCHEMBL19684652 0.80 PARP1 (0.36) PARP10PARP11PARP1PTPN1HSP90AA1
SCHEMBL19684745 0.79 CNR2 (0.35) PTPN1CNR2PDE4APDE4DPDE4B
SCHEMBL19667335 0.77 PARP11 (0.46) PARP10PARP11PARP1PTPN1
SCHEMBL23723816 0.77 PARP10 (0.44) PARP10PARP11PARP1HSP90AA1HSP90AB1
SCHEMBL21591191 0.77 PARP10 (0.44) PARP10PARP11PARP1PDE4BMAPT
SCHEMBL21593302 0.74 PARP10 (0.44) PARP10PARP11PARP1MAPK1KDM4E
SCHEMBL19684926 0.73 HRH3 (0.41) KMT2A
SCHEMBL22859113 0.72 PARP10 (0.51) PARP10PARP11PARP1HSP90AA1HSP90AB1

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 PARP10 330/4885PARP11 231/4885PARP1 37/4885

“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.