SCHEMBL6469693

SCHEMBL6469693

CNC(=O)[C@H](Cc1ccccc1)NC=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
EPHX1 P07099 1/20 0.54
MMP1 P03956 11/20 0.53
FCER2 P06734 2/20 0.53
MMP2 P08253 13/20 0.50
MMP3 P08254 7/20 0.50
MMP9 P14780 4/20 0.49
MMP8 P22894 4/20 0.49
MMP7 P09237 2/20 0.49

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
SCHEMBL19033467 1.00 MEN1 (0.56) MEN1KMT2ATAAR1EPHX1MMP1
SCHEMBL10272569 0.88 MMP1 (0.62) MMP1FCER2MMP2MMP3MMP9
SCHEMBL24833252 0.86 EPHX1 (0.53) MEN1KMT2ATAAR1EPHX1
SCHEMBL14495258 0.84 MEN1 (0.53) MEN1KMT2ATAAR1EPHX1
SCHEMBL19708164 0.84 MEN1 (0.53) MEN1KMT2ATAAR1EPHX1
SCHEMBL13827709 0.83 MEN1 (0.59) MEN1KMT2ATAAR1EPHX1MMP2
SCHEMBL19042806 0.83 MEN1 (0.59) MEN1KMT2ATAAR1EPHX1MMP2
SCHEMBL20863045 0.83 TAAR1 (0.64) MEN1KMT2ATAAR1EPHX1MMP9
SCHEMBL697901 0.83 EPHX1 (0.61) MEN1KMT2ATAAR1EPHX1MMP2
Benzene SCHEMBL27636787 0.83 EPHX1 (0.61) MEN1KMT2ATAAR1EPHX1MMP2

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
WO-2020216240-A1 DICYCLIC ALKANE COMPOUND USEFUL AS INHIBITOR OF PLASMA KALLIKREIN 南京明德新药研发有限公司 2020-10-29 WO disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
US-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-03-17 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-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MMP3, MMP10, MMP25 MEN1 1012/4885KMT2A 1668/4885TAAR1 4654/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A MEN1 1631/4885KMT2A 4176/4885TAAR1 4548/4885

“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.