SCHEMBL3271877

SCHEMBL3271877

Clc1ccc2nccc(OCCCBr)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.49
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
PDGFRB P09619 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CCR1 P32246 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
SOS2 Q07890 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
S1PR4 O95977 1/20 0.38
DOT1L Q8TEK3 1/20 0.36
PARP1 P09874 1/20 0.36
FERMT2 Q96AC1 1/20 0.36

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
SCHEMBL21403454 0.83 NR4A2 (0.50) NR4A2GAKRIPK2COQ8ANLK
SCHEMBL4150418 0.82 LMNA (0.48) NR4A2CCR1SOS2LMNASMN1; SMN2
SCHEMBL3271599 0.82 IDO1 (0.43) GAKCCNCCDK8AAK1
Bromide SCHEMBL3272093 0.81 IDO1 (0.42) GAKCCNCCDK8AAK1
SCHEMBL3242778 0.77 GAK (0.61) NR4A2GAKRIPK2COQ8ANLK
SCHEMBL31518029 0.75 CCNC (0.54) NR4A2CCNCCDK8LMNASMN1; SMN2
SCHEMBL1147640 0.73 LMNA (0.53) NR4A2CCR1SOS2LMNASMN1; SMN2
SCHEMBL5404467 0.72 NR4A2 (0.56) NR4A2GAKRIPK2COQ8ANLK
SCHEMBL2205085 0.72 MAPT (0.59) SMN1; SMN2CYP1A2S1PR4
SCHEMBL28900632 0.72 LMNA (0.49) NR4A2CCR1SOS2LMNASMN1; SMN2

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 NR4A2 4278/4885GAK 2878/4885RIPK2 3495/4885

“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.