SCHEMBL21428260

SCHEMBL21428260

Cc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 7/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 3/20 0.54
HTT P42858 1/20 0.54
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
NOTUM Q6P988 1/20 0.54
POLB P06746 1/20 0.53
BRD4 O60885 1/20 0.53
GAA P10253 1/20 0.52
MPO P05164 1/20 0.51
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL8200750 0.92 NOTUM (0.64) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL15074680 0.89 KDM4E (0.58) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL30674388 0.86 ESR2 (0.55) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL3653863 0.86 ESR2 (0.55) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL4691685 0.85 NOTUM (0.55) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL380901 0.85 KDM4E (0.53) KDM4EALDH1A1NPSR1TSHRHTT
SCHEMBL18216843 0.85 KDM4E (0.53) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL31552767 0.85 NOTUM (0.55) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL6846584 0.85 NR1H2 (0.56) KDM4EALDH1A1NPSR1TSHRPDK1
SCHEMBL5781463 0.85 KDM4E (0.53) KDM4EALDH1A1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
WO-2019191189-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2019-10-03 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-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 KDM4E 3895/4885ALDH1A1 128/4885NPSR1 24/4885

“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.