SCHEMBL3746326

SCHEMBL3746326

CC(COC(=O)N1CCC(n2c(=O)n(S(=O)(=O)c3cccs3)c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
POLB P06746 3/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR119 Q8TDV5 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL3746322 1.00 ALDH1A1 (0.42) ALDH1A1POLBPKMMAPTCYP3A4
SCHEMBL13980455 0.90 ALDH1A1 (0.41) ALDH1A1POLBPKMMAPTCYP3A4
SCHEMBL3635264 0.89 SMN1; SMN2 (0.40) ALDH1A1CYP3A4SMN1; SMN2TSHRL3MBTL1
SCHEMBL3752377 0.89 SMN1; SMN2 (0.40) ALDH1A1CYP3A4SMN1; SMN2TSHRL3MBTL1
SCHEMBL3740213 0.87 SMN1; SMN2 (0.43) ALDH1A1POLBCYP3A4CYP2C19SMN1; SMN2
SCHEMBL3636497 0.87 SMN1; SMN2 (0.43) ALDH1A1POLBCYP3A4CYP2C19SMN1; SMN2
SCHEMBL3632017 0.85 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL3741872 0.85 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL3751382 0.85 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2TSHRCHRM2CHRM4
SCHEMBL3751386 0.85 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2TSHRCHRM2CHRM4

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 898/4885POLB 1637/4885PKM 387/4885

“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.