SCHEMBL3636359

SCHEMBL3636359

CCc1cccc(CC)c1NC1CCN(C(=O)OCC(Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NOS2 P35228 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL3632625 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3636357 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3637956 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3637953 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3637958 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3754340 0.87 MEN1 (0.46) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3754339 0.87 MEN1 (0.46) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3754332 0.87 MEN1 (0.46) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3741840 0.83 MEN1 (0.43) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL3741837 0.83 MEN1 (0.43) ALDH1A1KDM4ELMNAMAPTUSP2

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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 ALDH1A1 898/4885KDM4E 4470/4885LMNA 3040/4885

“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.