SCHEMBL5780236

SCHEMBL5780236

COCCOC(=O)c1ccc(Nc2cccc(N3CCN(CC(=O)OC(C)C)CC3)c2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
PTGER4 P35408 2/20 0.41
TSHR P16473 6/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.39
GFER P55789 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ADORA2B P29275 2/20 0.37
HTR4 Q13639 2/20 0.37
CDC25B P30305 1/20 0.37
HTT P42858 1/20 0.37
PRMT1 Q99873 1/20 0.37
DRD4 P21917 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2651242 0.93 TSHR (0.43) MAPTLMNAPTGER4TSHRGAA
SCHEMBL2653209 0.89 MAPT (0.42) MAPTLMNAPTGER4TSHRGAA
SCHEMBL2650785 0.89 MAPT (0.42) MAPTLMNAPTGER4TSHRGAA
SCHEMBL2662153 0.89 GAA (0.44) MAPTLMNAPTGER4TSHRGAA
SCHEMBL2650857 0.89 TSHR (0.43) MAPTLMNAPTGER4TSHRGAA
SCHEMBL6278703 0.89 NPC1 (0.41) MAPTLMNAPTGER4TSHRGAA
SCHEMBL5780151 0.88 MAPT (0.44) SMN1; SMN2MAPTLMNAPTGER4TSHR
SCHEMBL2651673 0.87 PTGER4 (0.45) MAPTLMNAPTGER4TSHRGAA
SCHEMBL2661450 0.87 TSHR (0.44) MAPTLMNAPTGER4TSHRGAA
SCHEMBL2651358 0.85 MAPT (0.43) MAPTLMNAPTGER4TSHRGAA

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
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 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-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 SMN1; SMN2 729/4885MAPT 981/4885LMNA 3783/4885

“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.