SCHEMBL4511002

SCHEMBL4511002

CC1CN(c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2C=O)CC(C)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.32
USP30 Q70CQ3 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4518752 0.83 KDM4E (0.35) KDM4EHTTALDH1A1
SCHEMBL4495894 0.81 ALDH1A1 (0.39) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL4519113 0.79 KDM4E (0.34) KDM4EHTTALDH1A1TSHR
SCHEMBL3070183 0.78 KDM4E (0.45) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL4509360 0.78 HTT (0.45) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL3062681 0.78 KDM4E (0.42) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL20605261 0.77 LPL (0.34) JAK2BTK
SCHEMBL30748919 0.73 KDM4E (0.46) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL15657536 0.73 KDM4E (0.46) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL24484677 0.73 EGFR (0.33) JAK2BTKTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620439-A1 8-pyrazinyl-S-spiropyrimidinetrione-oxazinoquinoline derivatives as antibacterial agents PAH USA 15 LLC (US) 2013-07-31 EP disclosed
US-20090275536-A1 Antibacterial Agents PFIZER INC 2009-11-05 US disclosed
US-7557100-B2 Antibacterial agents PFIZER INC. (US) 2009-07-07 US disclosed
EP-1971612-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2008-09-24 EP disclosed
US-20070197518-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-23 US disclosed
WO-2007072151-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-06-28 WO 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-20090275536-A1 Antibacterial Agents CLPP, MRPL21, SPOUT1 KDM4E 4288/4885HTT 3802/4885PDE3B 1646/4885
US-20070197518-A1 Antibacterial agents CLPP, MRPL21, SPOUT1 KDM4E 4288/4885HTT 3802/4885PDE3B 1646/4885

“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.