SCHEMBL239212

SCHEMBL239212

COC(=O)c1nc(C#N)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
PKM P14618 3/20 0.45
RCE1 Q9Y256 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.38
NQO1 P15559 1/20 0.38
S1PR4 O95977 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 4/20 0.37

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
SCHEMBL837277 0.83 NPSR1 (0.44) KDM4EPKMNPSR1PDE4APDE4B
SCHEMBL17712893 0.83 NPSR1 (0.44) KDM4EPKMNPSR1ALDH1A1SMN1; SMN2
SCHEMBL26624901 0.83 CNR1 (0.40) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL29497605 0.83 CNR1 (0.40) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL14966226 0.83 MAPT (0.48) KDM4ENPSR1PDE4AALDH1A1L3MBTL1
SCHEMBL31163476 0.82 KDM4E (0.43) KDM4EPKMRCE1NPSR1ALDH1A1
SCHEMBL28324916 0.82 NPSR1 (0.42) KDM4EPKMNPSR1PDE4APDE4B
SCHEMBL30745099 0.82 PDE4A (0.44) KDM4EPKMNPSR1PDE4APDE4B
SCHEMBL20944324 0.82 PDE4A (0.44) KDM4EPKMNPSR1PDE4APDE4B
SCHEMBL25009031 0.79 SOS2 (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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 (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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R KDM4E 2809/4885PKM 3602/4885RCE1 105/4885

“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.