SCHEMBL17625239

SCHEMBL17625239

CC1(c2ccc(CC(=O)Cc3ccc(C4(C)N=N4)cc3)cc2)N=N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 2/20 0.33
CAMK2A Q9UQM7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP19A1 P11511 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GAA P10253 2/20 0.31
ABCC4 O15439 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 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
SCHEMBL17481953 0.86 CA2 (0.50) TDP1CA2CAMK2AALDH1A1HPGD
SCHEMBL19399250 0.86 KIF11 (0.43) LMNAHTTCES1
SCHEMBL17625241 0.74 KMT2A (0.56) L3MBTL1ALDH1A1LMNA
SCHEMBL12168594 0.74 TAAR1 (0.44) TDP1L3MBTL1CA2ALDH1A1LMNA
SCHEMBL17625234 0.72 KMT2A (0.59) TDP1ALDH1A1HPGDHSD17B10LMNA
SCHEMBL17600535 0.72 KIF11 (0.49) CES1
SCHEMBL13033696 0.71 TSHR (0.52) TDP1CA2ALDH1A1HPGDTSHR
SCHEMBL17625233 0.71 TSHR (0.41) TSHR
SCHEMBL4940818 0.69 L3MBTL1 (0.62) TDP1L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL5272776 0.69 GFER (0.50) TDP1CA2CAMK2AALDH1A1TSHR

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-9938241-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2018-04-10 US disclosed
US-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM SUMITOMO BAKELITE CO., LTD. (JP) 2016-03-24 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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM RDX, AOX1, ALDH1A2 TDP1 1943/4885L3MBTL1 4165/4885CA2 3420/4885

“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.