SCHEMBL22208286

SCHEMBL22208286

CCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 1.00
KDM4E B2RXH2 11/20 0.77
MAPT P10636 3/20 0.77
POLB P06746 2/20 0.77
ATM Q13315 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
PIM1 P11309 3/20 0.68
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56

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
SCHEMBL22208360 0.84 SQOR (0.72) SQORKDM4EMAPTPOLBATM
SCHEMBL19086309 0.83 SQOR (0.71) SQORKDM4EMAPTPOLBATM
SCHEMBL22208250 0.79 SQOR (0.69) SQORKDM4EMAPTPOLBATM
SCHEMBL27165992 0.76 KDM4E (0.64) SQORKDM4EMAPTPOLBATM
SCHEMBL22208394 0.75 SQOR (1.00) SQORKDM4EMAPTL3MBTL1PIM1
SCHEMBL13514485 0.75 KDM4E (0.61) SQORKDM4EMAPTPOLBATM
SCHEMBL22215650 0.74 SQOR (1.00) SQORKDM4EMAPTL3MBTL1KMT2A
SCHEMBL27165763 0.74 SQOR (0.67) SQORKDM4EMAPTPOLBATM
SCHEMBL14702369 0.73 PIM1 (0.60) SQORKDM4EMAPTPOLBATM
SCHEMBL13514649 0.73 MAPK8 (0.64) SQORKDM4EMAPTPOLBATM

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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 US claimed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 WO claimed
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 US disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 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 (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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 SQOR 1/4885KDM4E 316/4885MAPT 4525/4885

“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.