SCHEMBL28737571

SCHEMBL28737571

CN(C)C(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL8256846 0.96 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ARXRARXRB
SCHEMBL12608360 0.84 HTR2C (0.50) ALDH1A1
SCHEMBL12608356 0.84 AKR1C3 (0.47) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL20812222 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARXRARXRB
SCHEMBL16440960 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARXRARXRB
SCHEMBL31048932 0.79 NPC1 (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1466022 0.79 NPC1 (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL25243011 0.78 MAP4K1 (0.49)
SCHEMBL19044457 0.78 MAOB (0.54) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL7092149 0.78 DRD2 (0.40) ALDH1A1MEN1KMT2APDK1PDK2

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
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN claimed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
CN-115010712-A TDO2 inhibitors 基因泰克公司 2022-09-06 CN disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN 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-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 ALDH1A1 1849/4885MEN1 4540/4885KMT2A 664/4885

“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.