SCHEMBL9993261

SCHEMBL9993261

CCSCCNCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAOA P21397 1/20 0.53
MAPT P10636 2/20 0.52
CHRM2 P08172 1/20 0.52
GAA P10253 1/20 0.52
SIGMAR1 Q99720 3/20 0.48
DRD4 P21917 1/20 0.46
BCHE P06276 2/20 0.44
MPO P05164 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 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
SCHEMBL8498859 0.87 MEN1 (0.44) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL8498725 0.85 LTA4H (0.55) MEN1KMT2ATDP1MAPTDRD4
SCHEMBL22564629 0.81 LMNA (0.45) MEN1KMT2AMAPTCHRM2KDM4E
SCHEMBL9965802 0.80 MEN1 (0.64) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL11370850 0.79 MEN1 (0.70) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL22014817 0.79 CYP1A2 (0.60) MEN1KMT2ATDP1MAOAMAPT
Hydrochloric Acid SCHEMBL4349681 0.78 MEN1 (0.61) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL141336 0.77 MEN1 (0.73) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL5764 0.76 MEN1 (1.00) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL23791770 0.76 MEN1 (0.64) MEN1KMT2ATDP1MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10018623-B1 Molecular probes for ascorbate detection and methods of use THE UNIVERSITY OF HONG KONG (HK) 2018-07-10 US disclosed
US-20110294992-A1 METAL RESPONSIVE MRI-AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-01 US disclosed
US-20110294992-A1 METAL RESPONSIVE MRI-AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-01 US disclosed
US-20110294992-A1 METAL RESPONSIVE MRI-AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-01 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-10018623-B1 Molecular probes for ascorbate detection and methods of use PROC, CALCOCO2, CACYBP MEN1 3175/4885KMT2A 4244/4885TDP1 2677/4885
US-20110294992-A1 METAL RESPONSIVE MRI-AGENTS SLC11A2, TRIM59, AIFM2 MEN1 69/4885KMT2A 680/4885TDP1 3591/4885

“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.