SCHEMBL2094380

SCHEMBL2094380

CC(NC1CC[N]C1)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
EGFR P00533 1/20 0.34
ATM Q13315 1/20 0.34
IDH1 O75874 2/20 0.33
GFER P55789 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2097524 0.75 GAA (0.62) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL9432089 0.70 ALOX5 (0.35) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL553460 0.69
SCHEMBL3034097 0.69 GAA (0.36) GAAL3MBTL1
SCHEMBL10484390 0.67 ALOX5 (0.43) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1490114 0.67
SCHEMBL2094368 0.67 KDM1A (0.46) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL5779010 0.65 CHRM3 (0.42) MAPTKMT2ANPC1RAB9APOLB
SCHEMBL17509754 0.65 KDM1A (0.53) NPSR1
SCHEMBL3778241 0.64

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
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 MAPT 4388/4885NPSR1 2505/4885MEN1 1184/4885

“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.