SCHEMBL2407446

SCHEMBL2407446

Cc1ccc(Cl)cc1B(O)c1ccc(Oc2ccc(B(O)c3cc(Cl)ccc3C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.38
ORAI2 Q96SN7 2/20 0.38
ORAI3 Q9BRQ5 2/20 0.38
TRPV6 Q9H1D0 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTR2A P28223 5/20 0.37
SLC6A4 P31645 5/20 0.37
KCNH2 Q12809 5/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL12270774 0.83 ORAI1 (0.40) ORAI1ORAI2ORAI3TRPV6MAPT
SCHEMBL2413097 0.80 CYP3A4 (0.46) ORAI1ORAI2ORAI3TRPV6MAPT
SCHEMBL2404895 0.80 ORAI1 (0.41) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL1349122 0.74 CYP3A4 (0.48) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL257894 0.73 CA2 (0.52) CA1CA2HTR2ASLC6A4KCNH2
SCHEMBL2407444 0.73 ORAI1 (0.47) ORAI1ORAI2ORAI3HTR2ASLC6A4
SCHEMBL16693409 0.71 CYP3A4 (0.45) MAPTKDM4EALDH1A1KMT2ACYP3A4
SCHEMBL675954 0.70 HTR2A (0.54) HTR2ASLC6A4KCNH2MAPTKDM4E
SCHEMBL13167946 0.69 ENPP2 (0.73) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL6436949 0.67 HTR2A (0.53) HTR2ASLC6A4KCNH2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 ORAI1 4605/4885ORAI2 3906/4885ORAI3 4036/4885

“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.