SCHEMBL565489

SCHEMBL565489

BrCC#Cc1ccc(I)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.36
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
KCNH2 Q12809 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
GSK3B P49841 1/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNA10 Q9GZZ6 2/20 0.31
CHRNA9 Q9UGM1 2/20 0.31

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
SCHEMBL2176081 0.80 CHRNA7 (0.40) APPLMNACYP1A2CYP3A4CYP2C9
SCHEMBL508102 0.78 PYCR1 (0.41) APPLMNACYP1A2CYP3A4CYP2C9
SCHEMBL6508646 0.76 APP (0.48) APPLMNACYP3A4THPOBLM
SCHEMBL104471 0.76 FFAR1 (0.40) APPLMNACYP1A2CYP3A4CYP2C9
SCHEMBL2432676 0.76 LMNA (0.46) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12980279 0.76 GABRP (0.41) APPLMNACYP1A2CYP3A4CYP2C9
SCHEMBL1066892 0.76 KCNH2 (0.53) LMNAKCNH2GSK3B
SCHEMBL565043 0.76 MMP2 (0.47) APPLMNACYP1A2CYP3A4CYP2C9
SCHEMBL20015758 0.76 APP (0.47) APPCYP2C19
SCHEMBL1306241 0.76 APP (0.47) APPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 APP 699/4885LMNA 3090/4885CYP1A2 4278/4885

“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.