SCHEMBL3741872

SCHEMBL3741872

CC(COC(=O)N1CCC(n2c(=O)n(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 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
SCHEMBL3632017 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRCYP2D6CYP2C9
SCHEMBL3635264 0.94 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRCYP2D6KDM4E
SCHEMBL3752377 0.94 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRCYP2D6KDM4E
SCHEMBL3751382 0.92 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2TSHRKDM4ECHRM2
SCHEMBL3751386 0.92 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2TSHRKDM4ECHRM2
SCHEMBL3753916 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP2D6KDM4ECHRM2
SCHEMBL3753910 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP2D6KDM4ECHRM2
SCHEMBL3747348 0.91 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2TSHRKDM4ECHRM2
SCHEMBL3634034 0.91 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2TSHRKDM4ECHRM2
SCHEMBL3639156 0.90 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRCYP2C19KDM4E

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 ALDH1A1 898/4885SMN1; SMN2 3696/4885TSHR 4703/4885

“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.