SCHEMBL16132007

SCHEMBL16132007

Cc1ccc(C(=O)N2CCN(CCO)CC2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.50
AKR1C3 P42330 1/20 0.47
STAT3 P40763 1/20 0.47
EPHX2 P34913 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR1A P08908 1/20 0.44
KCNA5 P22460 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
YEATS4 O95619 1/20 0.42
DAO P14920 1/20 0.42

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
SCHEMBL18823273 0.85 ALDH1A1 (0.58) ALDH1A1HPGDHRH2HRH1MAPT
SCHEMBL13467140 0.83 ALDH1A1 (0.69) ALDH1A1HPGDHRH2HRH1MAPT
SCHEMBL12121414 0.83 HPGD (0.62) ALDH1A1HPGDHRH2HRH1KDM4E
SCHEMBL13280088 0.82 KDM4E (0.50) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL16131126 0.82 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL4157157 0.79 HPGD (0.66) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL17319591 0.79 HPGD (0.66) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL13280314 0.79 MAPT (0.61) ALDH1A1MAPTKDM4EPOLBHTR1A
SCHEMBL12755557 0.79 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EEPHX2DUSP3
SCHEMBL16797913 0.76 SMN1; SMN2 (0.62) ALDH1A1HPGDMAPTKDM4EEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 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 (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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 ALDH1A1 4487/4885HPGD 2172/4885HRH2 4430/4885

“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.