SCHEMBL5749189

SCHEMBL5749189

CC1(C)OC2CCC(c3ccc(NC(=O)OCc4ccccc4)cc3)CC2O1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
KDM1A O60341 5/20 0.55
MAOA P21397 3/20 0.55
MAOB P27338 2/20 0.55
RCOR1 Q9UKL0 4/20 0.54
KDM1B Q8NB78 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL5751946 0.85 NPC1 (0.45) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635331 0.80 KDM1A (0.65) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635334 0.80 KDM1A (0.65) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635332 0.80 KDM1A (0.65) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL4088795 0.77 CPB1 (0.55) KDM1AMAOAMAOBNPC1ALDH1A1
SCHEMBL4083721 0.77 CPB1 (0.55) KDM1AMAOAMAOBNPC1ALDH1A1
SCHEMBL12185088 0.76 HRH3 (0.59) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL3545211 0.75 KDM1A (0.60) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL3545210 0.75 KDM1A (0.60) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL28697724 0.74 KDM1A (0.62) HRH3KDM1AMAOAMAOBRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660488-A1 NOVEL ANTIMICROBIAL ARYLOXAZOLIDINONE COMPOUNDS Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
US-20050065187-A1 Novel antimicrobial aryloxazolidinone compounds GORDEEV MIKHAIL FEDOROVICH (US) 2005-03-24 US disclosed
WO-2005019214-A1 NOVEL ANTIMICROBIAL ARYLOXAZOLIDINONE COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050038086-A1 Epothilone derivatives and methods for making and using the same ASHLEY GARY (US) 2005-02-17 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 (2 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-20050065187-A1 Novel antimicrobial aryloxazolidinone compounds XDH, NQO1, MPO HRH3 1868/4885KDM1A 2828/4885MAOA 144/4885
US-20050038086-A1 Epothilone derivatives and methods for making and using the same EPOR, CCNA1, CCNY HRH3 1304/4885KDM1A 2321/4885MAOA 1511/4885

“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.