SCHEMBL3635829

SCHEMBL3635829

C[C@@H](COC(=O)N1CCC(N(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MCL1 Q07820 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ HTR2C P28335 3/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ CCR4 P51679 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PLG P00747 1/20 0.39

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
SCHEMBL3636191 0.90 LMNA (0.42) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3635250 0.89 LMNA (0.51) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3631395 0.89 MMP8 (0.42) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3631393 0.89 MMP8 (0.42) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3631273 0.88 LMNA (0.46) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3634554 0.88 ALOX15 (0.43) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3636260 0.87 HTT (0.43) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3636432 0.87 LMNA (0.41) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3635155 0.86 HPGD (0.49) KDM4EHTTKMT2AMEN1
SCHEMBL3754927 0.86 HTR2A (0.42) HTR2CHTR1AHTR2AHTR7DRD3

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 6 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
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
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 LMNA 3040/4885ALDH1A1 898/4885KDM4E 4470/4885

“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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