SCHEMBL4086446

SCHEMBL4086446

CN(CCn1nc(-c2ccccc2)c2ccccc2c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALOX15 P16050 1/20 0.54
TSHR P16473 2/20 0.54
GAA P10253 2/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL3974796 0.80 SMN1; SMN2 (0.64) SMN1; SMN2ALOX15TSHRGAAMEN1
Hydrochloric Acid SCHEMBL4087801 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15TSHRGAAMEN1
SCHEMBL8559004 0.72 RAB9A (0.65) SMN1; SMN2ALOX15TSHRGAAMEN1
SCHEMBL31703144 0.71 ALOX15 (1.00) SMN1; SMN2ALOX15TSHRGAAMEN1
SCHEMBL13799881 0.71 ALOX15 (1.00) SMN1; SMN2ALOX15TSHRGAAMEN1
SCHEMBL8243795 0.70 ALDH1A1 (0.66) SMN1; SMN2ALOX15TSHRGAAMEN1
SCHEMBL24000528 0.69 ENPP1 (0.60) ALOX15TSHRGAAMEN1KMT2A
SCHEMBL8555258 0.69 ALDH1A1 (0.73) SMN1; SMN2ALOX15TSHRGAAMEN1
SCHEMBL24000789 0.69 TSHR (0.50) ALOX15TSHRGAAMEN1KMT2A
SCHEMBL14554544 0.69 MAOB (0.49) SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 US disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 US disclosed
WO-2009051504-A1 BENZO- AND PYRIDOPYRIDAZINONES WITH ANALGESIC AND ANTIINFLAMMATORY ACTIVITY UNIWERSYTET LODSKI (PL) 2009-04-23 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 (3 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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 SMN1; SMN2 2183/4885ALOX15 4564/4885TSHR 3214/4885
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 SMN1; SMN2 2600/4885ALOX15 4089/4885TSHR 3306/4885
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors BET1, BRD4, PHKB SMN1; SMN2 1773/4885ALOX15 4373/4885TSHR 3774/4885

“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.