SCHEMBL3600218

SCHEMBL3600218

CCCCCCCCCC(=O)N1CCc2ccccc2C1C(=O)Nc1ncccc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1B P49286 2/20 0.41
RORC P51449 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
XIAP P98170 1/20 0.39
SLC6A15 Q9H2J7 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F11 P03951 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
SCHEMBL3608926 1.00 ACE (0.44) ACELMNASMN1; SMN2MTNR1BRORC
SCHEMBL3607354 0.82 ACE (0.46) ACELMNASMN1; SMN2MTNR1BRORC
SCHEMBL3607627 0.81 ACE (0.47) ACELMNASMN1; SMN2MTNR1BRORC
SCHEMBL3617469 0.79 ACE (0.43) ACEMTNR1BRORCXIAPF11
SCHEMBL3612165 0.79 ACE (0.50) ACEMTNR1B
SCHEMBL3604048 0.79 XIAP (0.49) ACEMTNR1BXIAP
SCHEMBL3603946 0.79 SMN1; SMN2 (0.45) LMNASMN1; SMN2MEN1KMT2AXIAP
SCHEMBL3609218 0.78 ACE (0.70) ACEMTNR1B
SCHEMBL3604484 0.76 RORC (0.45) ACEMTNR1BRORCKMT2AXIAP
SCHEMBL3605252 0.76 GAA (0.49) ACEMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 ACE 2202/4885LMNA 2021/4885SMN1; SMN2 2843/4885

“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.