SCHEMBL13079883

SCHEMBL13079883

Nc1ccccc1NC1CCN(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
GRIN2B Q13224 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
BRD4 O60885 1/20 0.42
HDAC1 Q13547 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HDAC2 Q92769 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL13079367 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2GRIN2B
SCHEMBL13113396 0.84 HDAC1 (0.42) ALDH1A1MEN1KMT2AHDAC1KDM4E
SCHEMBL5857295 0.84 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2GRIN2BCYP2C19
SCHEMBL3638942 0.81 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL3752295 0.81 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL4918724 0.80 NOS2 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2NOS2
SCHEMBL3636352 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2GRIN2B
SCHEMBL13079560 0.79 KDM4E (0.48) ALDH1A1MEN1KMT2AGRIN2BNPC1
SCHEMBL1832833 0.78 MEN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NOS2
SCHEMBL1832835 0.78 MEN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NOS2

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 2 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 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 898/4885MEN1 2707/4885KMT2A 4004/4885

“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.