SCHEMBL12521990

SCHEMBL12521990

COCCCS(=O)(=O)N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
DHFR P00374 1/20 0.33
HTR4 Q13639 1/20 0.33
SMO Q99835 1/20 0.33

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
SCHEMBL17039352 0.89 L3MBTL1 (0.45) MAPTKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12449176 0.81 ALDH1A1 (0.46) MAPTKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12521985 0.80 ALDH1A1 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8553637 0.80 ALDH1A1 (0.40) MAPTKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL2446798 0.79 L3MBTL1 (0.42) KDM4ESMN1; SMN2L3MBTL1ATMMEN1
SCHEMBL2387235 0.77 L3MBTL1 (0.41) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL31061327 0.77 L3MBTL1 (0.41) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL17033124 0.77 L3MBTL1 (0.41) KDM4ESMN1; SMN2L3MBTL1ATMMEN1
SCHEMBL1667133 0.77 L3MBTL1 (0.45) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL3335249 0.76 FAAH (0.42) KDM4EL3MBTL1PKM

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 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 (2 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK MAPT 1262/4885KDM4E 1757/4885ALDH1A1 4754/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MAPT 1186/4885KDM4E 1004/4885ALDH1A1 4626/4885

“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.