SCHEMBL5070790

SCHEMBL5070790

NC1C2CCCCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL21049142 0.92
SCHEMBL853114 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATHRBNOS3
SCHEMBL1710234 0.88
SCHEMBL3482522 0.79 MEN1 (0.36) MEN1KMT2ATHRBCYP1A2CYP3A4
SCHEMBL20801464 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATHRBCYP1A2
SCHEMBL20468321 0.74 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATHRB
SCHEMBL21349634 0.74 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATHRB
SCHEMBL8692979 0.74 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATHRB
SCHEMBL12293155 0.74
SCHEMBL18897676 0.74 ALDH1A1 (0.89) ALDH1A1MEN1KMT2ATHRBTSHR

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-10001927-B1 Techniques for optimizing I/O operations EMC IP Holding Company LLC (US) 2018-06-19 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 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-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 ALDH1A1 2709/4885MEN1 4589/4885KMT2A 2642/4885

“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.