SCHEMBL3752295

SCHEMBL3752295

CC(COC(=O)N1CCC(Nc2ccccc2N)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NOS2 P35228 1/20 0.42
BRD4 O60885 1/20 0.42
CDK1 P06493 3/20 0.42
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CDK2 P24941 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 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
SCHEMBL3638942 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL1832833 0.96 MEN1 (0.42) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL1832835 0.96 MEN1 (0.42) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL1832836 0.96 MEN1 (0.42) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL1835972 0.90 NOS2 (0.48) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL1835969 0.90 NOS2 (0.48) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL3637599 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL3637596 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1NOS2BRD4
SCHEMBL3636241 0.87 RORC (0.49) MEN1KMT2AALDH1A1NOS2SMN1; SMN2
SCHEMBL3636237 0.87 RORC (0.49) MEN1KMT2AALDH1A1NOS2SMN1; SMN2

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 3 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-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 MEN1 2707/4885KMT2A 4004/4885ALDH1A1 898/4885

“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.