SCHEMBL16132012

SCHEMBL16132012

Cc1cncc(C(=O)N2CCN(CCO)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ AKR1C3 P42330 1/20 0.48
▸ FABP6 P51161 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ THRB P10828 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NAMPT P43490 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
SCHEMBL13279929 0.83 ALDH1A1 (0.48) ALDH1A1POLBKDM4EALOX15MEN1
SCHEMBL13466398 0.83 ALDH1A1 (0.64) ALDH1A1POLBAKR1C3FABP6KDM4E
SCHEMBL18376152 0.81 HPGD (0.64) ALDH1A1HCAR2KDM4EKMT2AATM
SCHEMBL12513597 0.79 MEN1 (0.64) ALDH1A1POLBFABP6KDM4EMEN1
SCHEMBL12286133 0.79 HPGD (0.64) ALDH1A1POLBAKR1C3KDM4EMEN1
SCHEMBL10211716 0.78 ALDH1A1 (0.69) ALDH1A1POLBAKR1C3KDM4EMEN1
SCHEMBL15107941 0.78 ALDH1A1 (0.58) ALDH1A1POLBAKR1C3KDM4ENAMPT
SCHEMBL12104580 0.77 SMN1; SMN2 (0.54) ALDH1A1HCAR2KDM4EMEN1KMT2A
SCHEMBL5821065 0.75 CYP46A1 (0.49) ALDH1A1HCAR2MEN1KMT2AATM
SCHEMBL16132010 0.74 ALDH1A1 (0.49) ALDH1A1POLBKDM4EMEN1KMT2A

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 4487/4885POLB 1057/4885AKR1C3 3379/4885

“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.

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