SCHEMBL3267045

SCHEMBL3267045

CCOC(=O)CCCOc1ccc2nc(C)cc(OCCCBr)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
P2RY12 Q9H244 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
BRD4 O60885 1/20 0.46
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KCNH2 Q12809 3/20 0.45
MMP13 P45452 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 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
SCHEMBL3267333 0.84 PDE3B (0.54) PDE3BPDE3AP2RY12ALDH1A1HSD17B10
SCHEMBL3271792 0.81 DHFR (0.54) PDE3BPDE3AP2RY12DHFR
Hydrochloric Acid SCHEMBL3267053 0.81 DHFR (0.55) DHFR
SCHEMBL24478464 0.74 BRD4 (0.55) PDE3BPDE3AP2RY12SMN1; SMN2CYSLTR2
SCHEMBL3267158 0.73 TDP1 (0.51) ALDH1A1CYSLTR2CYSLTR1BRD4DHFR
SCHEMBL14402249 0.72 BRD4 (0.51) PDE3BPDE3AP2RY12ALDH1A1HPGD
SCHEMBL21479040 0.72 PDE3B (0.62) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL3268831 0.72 NCF1 (0.52) KDM4ECYP1A2
SCHEMBL3267189 0.72 DHFR (0.57) ALDH1A1HSD17B10CASP1CASP7DHFR
SCHEMBL21479621 0.71 PDE3B (0.61) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1

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-3546452-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MMV Medicines for Malaria Venture (CH) 2019-10-02 EP disclosed
EP-2194985-B1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE MMV (CH) 2019-02-20 EP disclosed
US-8530491-B2 Antimalarial compounds with flexible side-chains MEDICINES FOR MALARIA VENTURE (MMV) (CH) 2013-09-10 US disclosed
EP-2194985-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS Medicines for Malaria Venture (CH) 2010-06-16 EP disclosed
US-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE 2009-04-16 US disclosed
WO-2009048957-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE (CH) 2009-04-16 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 (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-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS DHFR, FPGS, DHODH PDE3B 2015/4885PDE3A 2495/4885P2RY12 2855/4885

“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.