SCHEMBL2407845

SCHEMBL2407845

CC(N)NC(C)OB(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
TRPM2 O94759 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL3463761 0.78 ORAI1 (0.48) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL2404970 0.74 CYP3A4 (0.49) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL7461066 0.73 ORAI1 (0.52) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL4174754 0.70 KDM4E (0.42) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL17698461 0.70 ORAI1 (0.36) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL5710601 0.65 ORAI1 (0.48) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL12270707 0.64 DPP4 (0.48) ORAI1ORAI2ORAI3TRPV6KDM4E
SCHEMBL27704414 0.63 SIGMAR1 (0.53) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL28984180 0.63 LMNA (0.46) KDM4EALDH1A1CYP3A4ALOX15TSHR
SCHEMBL12318751 0.63 ORAI1 (0.40) ORAI1ORAI2ORAI3TRPV6KDM4E

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.