SCHEMBL3060775

SCHEMBL3060775

O=C(O)Cc1cc(Cl)ccc1CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CXCL8 P10145 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM1 P11229 1/20 0.45
GRIK1 P39086 1/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
PTGDR Q13258 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1B1 P15121 1/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 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
SCHEMBL16041940 0.88 KEAP1 (0.54) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL13136740 0.80 MAPT (0.42) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL384040 0.80 IDO1 (0.44) CYP2C9MAPTTDP1AKR1B1MEN1
SCHEMBL30089455 0.80 IDO1 (0.44) CYP2C9MAPTTDP1AKR1B1MEN1
SCHEMBL4608622 0.79 MAPT (0.56) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL4047837 0.79 KEAP1 (0.50) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL30452038 0.79 KEAP1 (0.50) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL1614038 0.79 KEAP1 (0.50) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL29761218 0.79 KEAP1 (0.50) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL2394432 0.79 KEAP1 (0.53) KEAP1NFE2L2CXCL8CYP2C9CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP claimed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 KEAP1 680/4885NFE2L2 2046/4885CXCL8 3123/4885

“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.