SCHEMBL14898129

SCHEMBL14898129

O=C(NCc1cccc(C2CCN(C(=O)c3cccc(NC(=O)C(=O)C4(O)CCC4)c3)CC2)c1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
KDM1B Q8NB78 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP1 P09874 1/20 0.38
KMT2A Q03164 1/20 0.37
BTK Q06187 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
SCHEMBL22652456 0.90 CCKBR (0.39) PARP14PARP1KMT2A
SCHEMBL14879880 0.87 KMT2A (0.41) TGM2PARP1KMT2A
SCHEMBL14898127 0.85 KMT2A (0.41) TGM2PARP1KMT2A
SCHEMBL13976517 0.84 TPSAB1 (0.46) PARP14KMT2A
SCHEMBL14898171 0.83 TGM2 (0.43) TGM2KDM1AMAOAKDM1BRCOR1
SCHEMBL14879798 0.82 PARP14 (0.44) TGM2KDM1AMAOAKDM1BRCOR1
SCHEMBL14879876 0.80 BCHE (0.46) TGM2PARP14PARP1
SCHEMBL11903611 0.77 CCR1 (0.48) TGM2
SCHEMBL14879657 0.75 EPHX2 (0.42) KMT2A
SCHEMBL13976869 0.74 MCHR1 (0.47) TGM2

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
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 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 (2 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-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TGM2 1636/4885KDM1A 4455/4885MAOA 4269/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TGM2 1636/4885KDM1A 4455/4885MAOA 4269/4885

“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.