SCHEMBL230230

SCHEMBL230230

O=Cc1ccc(NC(c2ccc(Cl)cc2)C2CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GCG P01275 9/20 0.37
HDAC6 Q9UBN7 2/20 0.35
FFAR2 O15552 1/20 0.35
P4HTM Q9NXG6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKT1 P31749 2/20 0.33
GPR139 Q6DWJ6 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
ROCK2 O75116 1/20 0.32
AKT2 P31751 1/20 0.32
KCNH2 Q12809 1/20 0.32
AKT3 Q9Y243 1/20 0.32

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
SCHEMBL2458142 0.73 HDAC3 (0.41) MAPTSMN1; SMN2HDAC6P4HTMMEN1
SCHEMBL15331602 0.68 KCNJ1 (0.34) AKT2
SCHEMBL15330495 0.68 KCNJ1 (0.34) AKT2
SCHEMBL15330497 0.68 KCNJ1 (0.34) AKT2
SCHEMBL231542 0.67 MAPT (0.47) KDM4EMAPTSMN1; SMN2HDAC6P4HTM
SCHEMBL733566 0.66
SCHEMBL230231 0.64 CNR1 (0.42)
SCHEMBL4005376 0.64 LTA4H (0.43) MAPTSMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL434656 0.64 SLC6A4 (0.40) HPGDSMN1; SMN2FFAR2GPR139
SCHEMBL230229 0.63 LTC4S (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R KDM4E 3024/4885MAPT 4117/4885HPGD 169/4885

“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.