SCHEMBL4283225

SCHEMBL4283225

CCN(CC)Cc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 1.00
MAPT P10636 5/20 1.00
LMNA P02545 4/20 1.00
PKM P14618 2/20 1.00
ALDH1A1 P00352 11/20 0.81
NPSR1 Q6W5P4 1/20 0.66
CLK1 P49759 1/20 0.54
GSK3B P49841 1/20 0.54
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
GAA P10253 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36

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
SCHEMBL4068556 0.90 HTT (0.82) HTTMAPTLMNAPKMALDH1A1
SCHEMBL4284501 0.90 ALDH1A1 (1.00) HTTMAPTLMNAPKMALDH1A1
SCHEMBL4062560 0.80 MAPT (0.98) HTTMAPTLMNAPKMALDH1A1
Hydrochloric Acid SCHEMBL4290512 0.80 MAPT (1.00) HTTMAPTLMNAPKMALDH1A1
SCHEMBL4060535 0.80 HTT (0.77) HTTMAPTLMNAPKMALDH1A1
SCHEMBL4389559 0.79 ALDH1A1 (0.67) HTTMAPTLMNAPKMALDH1A1
SCHEMBL4281505 0.79 ALDH1A1 (1.00) HTTMAPTLMNAPKMALDH1A1
Hydrochloric Acid SCHEMBL4067028 0.78 ALDH1A1 (0.66) HTTMAPTLMNAPKMALDH1A1
SCHEMBL4067979 0.78 HTT (0.64) HTTMAPTLMNAPKMALDH1A1
SCHEMBL4286778 0.77 ALDH1A1 (0.83) HTTMAPTLMNAPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883504-B2 Cell differentiation suppressing agent, method of culturing cells using the same, culture solution, and cultured cell line ASAHI KASEI KABUSHIKI KAISHA (JP) 2014-11-11 US disclosed
US-20090155906-A1 CELL DIFFERENTIATION SUPPRESSING AGENT, METHOD OF CULTURING CELLS USING THE SAME, CULTURE SOLUTION, AND CULTURED CELL LINE MIYABAYASHI TOMOYUKI 2009-06-18 US disclosed
EP-1640449-A1 CELL DIFFERENTIATION INHIBITING AGENT, CELL CULTURE METHOD USING THE SAME, CULTURE MEDIUM AND CULTURED CELL LINE Asahi Kasei Kabushiki Kaisha (JP) 2006-03-29 EP disclosed
US-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-07-14 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-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole MKI67, ALPG, NES HTT 4510/4885MAPT 4659/4885LMNA 2122/4885

“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.