SCHEMBL4222105

SCHEMBL4222105

CC(=O)Nc1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.60
▸ MAOA P21397 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ AKR1B1 P15121 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ POLB P06746 2/20 0.45
▸ BAZ2B Q9UIF8 1/20 0.45

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
SCHEMBL11663201 0.83 AKR1B1 (0.61) MAPK14MAOANPC1RAB9AKMT2A
SCHEMBL7833676 0.82 MAPK14 (0.52) MAPK14KMT2AMEN1AKR1B1CYP1A2
SCHEMBL5763727 0.80 MAOA (0.44) MAPK14MAOANPC1RAB9AKMT2A
SCHEMBL7820594 0.80 NPC1 (0.86) MAPK14MAOANPC1RAB9AKMT2A
SCHEMBL2007673 0.77 AKR1B1 (0.57) MAPK14ALDH1A1SMN1; SMN2AKR1B1POLB
SCHEMBL8880119 0.76 AKR1B1 (0.66) MAPK14KMT2AMAPTMEN1AKR1B1
SCHEMBL2812760 0.76 MAOA (1.00) MAOANPC1RAB9AKMT2AMAPT
SCHEMBL4224574 0.75 MAPK14 (0.65) MAPK14MAOANPC1RAB9AKMT2A
SCHEMBL4224487 0.75 MAPK14 (1.00) MAPK14AKR1B1
SCHEMBL11569877 0.75 AKR1B1 (0.61) MAPK14MAOANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 — — US claimed
EP-1881968-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2008-01-30 — — EP claimed
WO-2006120010-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2006-11-16 — — WO claimed
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 — — US disclosed
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 — — US disclosed
EP-1881968-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2008-01-30 — — EP disclosed
WO-2006120010-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2006-11-16 — — WO 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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds BDKRB1, IL1R1, IL1A MAPK14 3479/4885MAOA 1574/4885NPC1 668/4885

“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.

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