SCHEMBL11990342

SCHEMBL11990342

Cn1c(C(=O)Cl)cccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
SLC18A3 Q16572 1/20 0.40
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
CA9 Q16790 1/20 0.35
KAT2B Q92831 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL17477620 0.81 MCL1 (0.44) IDH1SLC18A3ALDH1A1CA12BRD4
SCHEMBL22724094 0.79 IDH1 (0.40) IDH1SLC18A3ALDH1A1CA12BRD4
SCHEMBL14441730 0.77 ALDH1A1 (0.33) ALDH1A1MCL1
SCHEMBL2789862 0.77 IDH1 (0.60) IDH1ALDH1A1MAPTHDAC4HDAC1
SCHEMBL2413275 0.76 KDM4E (0.45) IDH1ALDH1A1CA12BRD4CA9
SCHEMBL2404923 0.70 ALDH1A1 (0.50) ALDH1A1MMP1MMP9MMP12TDP1
SCHEMBL17471570 0.70 S1PR4 (0.56) ALDH1A1MEN1KMT2AMAPTHDAC4
SCHEMBL17296431 0.70 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPT
SCHEMBL194181 0.70
SCHEMBL17477700 0.69 PTGS2 (0.51) ALDH1A1MEN1KMT2AMAPTTDP1

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-9556122-B2 Luminescent 1-hydroxy-2-pyridinone chelates of lanthanides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-31 US disclosed
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. 2016-11-03 US disclosed
US-9273059-B2 Macrocyclic HOPO chelators LUMIPHORE, INC. (US) 2016-03-01 US disclosed
US-20140039169-A1 LUMINESCENT 1-HYDROXY-2-PYRIDINONE CHELATES OF LANTHANIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-02-06 US disclosed
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2012-08-23 US 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 (3 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-20140039169-A1 LUMINESCENT 1-HYDROXY-2-PYRIDINONE CHELATES OF LANTHANIDES PLPBP, HPD, LASP1 IDH1 25/4885SLC18A3 1997/4885ALDH1A1 411/4885
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 IDH1 256/4885SLC18A3 1195/4885ALDH1A1 4846/4885
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 IDH1 256/4885SLC18A3 1195/4885ALDH1A1 4846/4885

“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.