SCHEMBL13079367

SCHEMBL13079367

O=C(OCCN(Cc1ccccc1)Cc1ccccc1)N1CCC(Nc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
RORC P51449 2/20 0.47
NOS2 P35228 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.44
GRIN2B Q13224 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL3636352 0.93 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13079560 0.90 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13079883 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13980418 0.82 L3MBTL1 (0.53) ALDH1A1MEN1KMT2ARAB9ACYP2C19
SCHEMBL924781 0.82 SMN1; SMN2 (0.67) MEN1KMT2AKDM4ELMNANOS2
SCHEMBL3639488 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3636241 0.79 RORC (0.49) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3636237 0.79 RORC (0.49) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3754340 0.78 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3754339 0.78 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA

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
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

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.