SCHEMBL15324772

SCHEMBL15324772

NCCn1nnnc1NC(=O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
KCNE1 P15382 2/20 0.45
KCNQ1 P51787 2/20 0.45
GRM5 P41594 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL29848625 0.88 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL15324846 0.88 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL15326561 0.82 NPC1 (0.50) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL16034867 0.80 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL15323661 0.80 LMNA (0.48) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL15326558 0.79 NPC1 (0.49) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL16087861 0.78 KDM4E (0.50) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL15326621 0.75 KDM4E (0.69) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL15326530 0.74 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL15326553 0.73 HDAC4 (0.46) ALDH1A1NPC1RAB9AKDM4ELMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
WO-2013154793-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2013-10-17 WO disclosed
WO-2013154793-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2013-10-17 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-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS NR2C2, H1-10, NR2F2 ALDH1A1 3673/4885NPC1 554/4885RAB9A 1056/4885

“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.