SCHEMBL3639375

SCHEMBL3639375

CC(COC(=O)N1CCC(Nc2cccc(F)c2)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
MLNR O43193 6/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
UBE2M P61081 2/20 0.45
DCUN1D1 Q96GG9 2/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3639371 1.00 KDM4E (0.48) KDM4ELMNAMLNRALDH1A1USP2
SCHEMBL3636241 0.91 RORC (0.49) KDM4ELMNAALDH1A1USP2MAPT
SCHEMBL3636237 0.91 RORC (0.49) KDM4ELMNAALDH1A1USP2MAPT
SCHEMBL3746221 0.85 ALDH1A1 (0.49) KDM4ELMNAALDH1A1USP2MAPT
SCHEMBL3636681 0.85 ALDH1A1 (0.49) KDM4ELMNAALDH1A1USP2MAPT
SCHEMBL3810128 0.84 KDM4E (0.57) KDM4ELMNAMLNRALDH1A1USP2
SCHEMBL3754359 0.84 RORC (0.48) KDM4ELMNAALDH1A1USP2MAPT
SCHEMBL3643666 0.84 RORC (0.48) KDM4ELMNAALDH1A1USP2MAPT
SCHEMBL3636523 0.83 ALDH1A1 (0.53) LMNAALDH1A1MAPTHTTUBE2M
SCHEMBL3636526 0.83 ALDH1A1 (0.53) LMNAALDH1A1MAPTHTTUBE2M

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 5 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
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
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 disclosed
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 disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP 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 KDM4E 4470/4885LMNA 3040/4885MLNR 2209/4885

“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.