SCHEMBL19684894

SCHEMBL19684894

O=C1NCCOc2cc(Cl)cc(OCc3ccccc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
EGFR P00533 1/20 0.39
PLAU P00749 1/20 0.39
JAK2 O60674 1/20 0.38
ZAP70 P43403 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19667307 0.87 GRM5 (0.42) GRM5MAOBMAOAHPGDALDH1A1
SCHEMBL2983060 0.73 MAOB (0.67) GRM5MAOBMAOAHPGDALDH1A1
SCHEMBL2987220 0.72 HTT (0.44) MAOBHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL4894342 0.70 GRM5 (0.46) GRM5MAOBMAOAHPGDALDH1A1
SCHEMBL19679353 0.69 FABP6 (0.42) HPGDALDH1A1KDM4ETTR
SCHEMBL15525854 0.69 FABP6 (0.49) HPGDALDH1A1EGFRJAK2KDM4E
SCHEMBL19679352 0.69 FABP6 (0.42) HPGDALDH1A1JAK2KDM4E
SCHEMBL31013857 0.69 MAOB (0.41) MAOBSLC6A4PLAUJAK2ZAP70
SCHEMBL22713777 0.68 EGFR (0.48) GRM5SLC6A4HTR2CEGFR
SCHEMBL19667335 0.68 PARP11 (0.46) MAOBMAOASLC6A4HTR2CEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2020-07-14 US disclosed
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-04-18 US disclosed
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
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 (4 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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP GRM5 4724/4885MAOB 3330/4885MAOA 3689/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP GRM5 4724/4885MAOB 3330/4885MAOA 3689/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP GRM5 4724/4885MAOB 3330/4885MAOA 3689/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP GRM5 4724/4885MAOB 3330/4885MAOA 3689/4885

“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.