SCHEMBL22009219

SCHEMBL22009219

CC(C)OCCC(=O)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TPSAB1 Q15661 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 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
SCHEMBL15748044 0.82 CYP3A4 (0.55) GAAALDH1A1L3MBTL1TPSAB1HTT
SCHEMBL21422726 0.81 TPSAB1 (0.46) GAAALDH1A1L3MBTL1TPSAB1LMNA
SCHEMBL27089937 0.80 TPSAB1 (0.43) TSHRRECQLALDH1A1TPSAB1HTT
SCHEMBL14677758 0.79 HTT (0.57) GAAALDH1A1L3MBTL1TPSAB1HTT
SCHEMBL23879899 0.79 KMT2A (0.59) GAAALDH1A1TPSAB1CYP3A4LMNA
SCHEMBL16384737 0.79 TPSAB1 (0.49) GAAALDH1A1TPSAB1LMNAKMT2A
SCHEMBL26036197 0.79 TPSAB1 (0.49) GAAALDH1A1TPSAB1LMNAKMT2A
SCHEMBL26157078 0.78 ERCC1 (0.50) ALDH1A1CYP3A4LMNAKMT2AHDAC1
SCHEMBL30778183 0.78 ROCK2 (0.39) TSHRRECQLALDH1A1TPSAB1HTT
SCHEMBL21301043 0.77 MEN1 (0.48) GAAALDH1A1TPSAB1LMNAKMT2A

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-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2020-05-21 — — 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-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 TSHR 1024/4885RECQL 4096/4885GAA 226/4885

“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.

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