SCHEMBL16007997

SCHEMBL16007997

Cn1cnc(N(Cc2cccc(C(Cc3ccccc3)C(N)=O)c2)[SH](=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CHRM1 P11229 8/20 0.38
CPB2 Q96IY4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A9 P48067 4/20 0.35
KCNH2 Q12809 3/20 0.35
SLC6A5 Q9Y345 3/20 0.35
UBE2N P61088 1/20 0.34
CTSL P07711 1/20 0.34
CTSK P43235 1/20 0.34
CYP2D6 P10635 1/20 0.34
QPCT Q16769 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
SCHEMBL16008188 0.81 EPHX1 (0.46) EPHX1CHRM1HDAC8MEN1KMT2A
SCHEMBL622955 0.74 LMNA (0.62) EPHX1MEN1KMT2ASLC6A9
SCHEMBL621911 0.70 EPHX1 (0.73) EPHX1CHRM1MEN1KMT2AUBE2N
SCHEMBL28609672 0.69 EPHX1 (0.71) EPHX1CHRM1MEN1KMT2AUBE2N
SCHEMBL29608984 0.69 EPHX1 (0.71) EPHX1CHRM1MEN1KMT2AUBE2N
SCHEMBL1516139 0.68 EPHX1 (1.00) EPHX1CHRM1UBE2N
SCHEMBL11019097 0.68 EPHX1 (0.73) EPHX1CHRM1UBE2N
SCHEMBL10269752 0.68 EPHX1 (0.73) EPHX1CHRM1CPB2UBE2N
SCHEMBL8620330 0.67 EPHX1 (0.96) EPHX1CHRM1MEN1KMT2AUBE2N
SCHEMBL28605536 0.67 EPHX1 (0.71) EPHX1MEN1KMT2A

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-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 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-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT EPHX1 1478/4885CHRM1 1905/4885CPB2 1326/4885

“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.