SCHEMBL14752250

SCHEMBL14752250

CC(C)(C)OC(=O)N(N)c1ccc(Cl)nn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MT-CO2 P00403 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TRPA1 O75762 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1120110 0.84 KMT2A (0.51) KMT2ALMNAMT-CO2ATRHSP90AA1
SCHEMBL3484770 0.83 KMT2A (0.50) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL26663206 0.81 KMT2A (0.48) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL30548350 0.79 LMNA (0.47) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL26188589 0.79 LMNA (0.47) KMT2ALMNAMT-CO2ATRSYK
SCHEMBL3804334 0.75 GRM5 (0.33) KMT2ALMNAATRHSP90AA1HSP90AB1
SCHEMBL8126885 0.74 POLB (0.47) KMT2ALMNARAB9AMEN1SMN1; SMN2
SCHEMBL8723112 0.73 KDM4E (0.34) SYKRAB9A
SCHEMBL551649 0.71 MT-CO2 (0.53) KMT2ALMNAMT-CO2MEN1SMN1; SMN2
SCHEMBL2529611 0.71 MT-CO2 (0.42) MT-CO2RAB9A

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-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 — — US disclosed
US-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 — — 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-20130060027-A1 TETRAHYDROISOQUINOLINES AND INTERMEDIATES THEREFOR FARS2, TPH1, COQ8A KMT2A 1412/4885LMNA 1456/4885MT-CO2 521/4885

“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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