SCHEMBL19684926

SCHEMBL19684926

CCCCOc1cc(Br)cc2c1CNCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
PNMT P11086 2/20 0.40
ASIC3 Q9UHC3 1/20 0.40
PRMT5 O14744 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL29086789 0.87 HTR2A (0.47) HRH3PNMTASIC3PRMT5HTR2A
SCHEMBL22858683 0.79 HTR2C (0.51) PNMTASIC3PRMT5HTR2AHTR2C
SCHEMBL29608060 0.79 HTR2C (0.51) PNMTASIC3PRMT5HTR2AHTR2C
SCHEMBL19684653 0.79 HRH3 (0.38) HRH3PNMTPRMT5TLR7RAD52
Hydrochloric Acid SCHEMBL23725869 0.78 HTR2C (0.50) PNMTASIC3PRMT5HTR2AHTR2C
SCHEMBL19679215 0.76 HTR2C (0.51) PNMTASIC3PRMT5HTR2AHTR2C
SCHEMBL19684924 0.73 PARP10 (0.41) KMT2A
SCHEMBL17664979 0.71 HTR2A (0.46) HRH3TLR7HTR2AHTR2CHTR2B
SCHEMBL19684577 0.71 PNMT (0.50) PNMTASIC3PRMT5HTR2AHTR2C
Hydrochloric Acid SCHEMBL29216547 0.69 PNMT (0.49) PNMTASIC3PRMT5HTR2AHTR2C

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 HRH3 4115/4885PNMT 2003/4885ASIC3 4751/4885

“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.