SCHEMBL3545630

SCHEMBL3545630

O=C(Nc1cc2c3c(c1)c1c(n3CCC2)CCCCC1)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
LMNA P02545 6/20 0.52
MAPT P10636 5/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
GAA P10253 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 6/20 0.44
KIF11 P52732 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL3545321 0.78 HTR2C (0.43) MAPTMEN1KMT2AGAAALOX15
SCHEMBL3551076 0.77 CNR2 (0.41) MAPTMEN1KMT2AGAAALOX15
SCHEMBL3546317 0.77 HTR2C (0.40) RAB9ALMNAMEN1KMT2AGAA
SCHEMBL3546577 0.76 LMNA (0.41) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL3547244 0.75 MAPT (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3545018 0.74 KCNQ2 (0.40) LMNAGAA
SCHEMBL3546473 0.74 RORC (0.41) RAB9ALMNAMEN1KMT2AGAA
SCHEMBL3540203 0.73 BCHE (0.39) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL3538998 0.73 RORC (0.41) RAB9ALMNAMEN1KMT2AGAA
SCHEMBL3546454 0.73 KCNQ2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US claimed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US claimed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 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-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA5, KCNK5 NPC1 873/4885RAB9A 3548/4885LMNA 3274/4885

“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.