SCHEMBL23788965

SCHEMBL23788965

Cc1cc(N(C)C)nc(Nc2ccc(CNC(=O)c3ccccc3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.64
SLC2A1 P11166 1/20 0.64
TAAR1 Q96RJ0 1/20 0.62
LRRK2 Q5S007 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL23788967 0.96 TGM2 (0.67) TGM2SLC2A1TAAR1LRRK2HDAC6
SCHEMBL23788970 0.86 TGM2 (0.78) TGM2SLC2A1TAAR1HDAC1HDAC6
SCHEMBL23788966 0.83 TGM2 (0.59) TGM2SLC2A1TAAR1HDAC1HDAC6
SCHEMBL23789082 0.78 TGM2 (1.00) TGM2SLC2A1TAAR1NPC1RAB9A
SCHEMBL23789090 0.76 TGM2 (0.73) TGM2SLC2A1TAAR1NPC1RAB9A
SCHEMBL23788988 0.75 SLC2A1 (0.68) TGM2SLC2A1TAAR1NPC1RAB9A
SCHEMBL23789232 0.75 SLC2A1 (0.65) TGM2SLC2A1TAAR1HDAC6RAB9A
SCHEMBL23789240 0.74 SLC2A1 (0.64) TGM2SLC2A1TAAR1NPC1RAB9A
SCHEMBL23788964 0.74 TAAR1 (0.69) TGM2SLC2A1TAAR1NPC1RAB9A
SCHEMBL8891004 0.73 NPY5R (0.62) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF NORTHWESTERN UNIVERSITY 2021-09-09 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-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF TGM2, TGM3, TGM6 TGM2 1/4885SLC2A1 550/4885TAAR1 4661/4885

“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.