SCHEMBL12648367

SCHEMBL12648367

c1ccc2sc(C3(N4CCCC4)CCCCC3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
TSHR P16473 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
SLC6A3 Q01959 1/20 1.00
PMP22 Q01453 1/20 0.97
NPSR1 Q6W5P4 1/20 0.97
PRCP P42785 1/20 0.53

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
SCHEMBL30687922 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL988286 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7094797 0.88 SIGMAR1 (0.78) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9047802 0.86 SIGMAR1 (0.76) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9048214 0.83 SIGMAR1 (0.70) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9050714 0.81 SIGMAR1 (0.67) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9046003 0.80 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9049352 0.80 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7698474 0.78 SIGMAR1 (0.62) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7095248 0.74 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS SIGMAR1 4650/4885MEN1 3426/4885KMT2A 2736/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS SIGMAR1 4781/4885MEN1 2224/4885KMT2A 4241/4885

“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.