SCHEMBL19962833

SCHEMBL19962833

Cc1cc(=O)[nH]c2c(NC(=O)CN(CCN(CC(=O)O)[C@@H]3CCCC[C@H]3N(CC(=O)O)CC(=O)O)[C@H]3CCCC[C@@H]3N(CC(=O)O)CC(=O)O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ PARP14 Q460N5 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PLA2G7 Q13093 6/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL23153405 0.81 POLB (0.42) KDM4EALDH1A1NPSR1MEN1HPGD
SCHEMBL23130696 0.70 TERT (0.35) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL23153403 0.70 TERT (0.38) —
SCHEMBL23153396 0.67 KAT2B (0.41) ALDH1A1MEN1KMT2A
SCHEMBL19962832 0.65 TDP1 (0.42) KDM4ELMNAALOX15
SCHEMBL19962167 0.65 TDP1 (0.42) KDM4ELMNAALOX15
SCHEMBL19962831 0.64 POLB (0.36) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24810932 0.62 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14367687 0.61 TERT (0.48) KDM4EALDH1A1LMNAHPGD
SCHEMBL5798620 0.61 NQO2 (0.64) KDM4ENQO2ALDH1A1LMNAPLA2G7

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-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — US disclosed
WO-2018048879-A1 METAL CHELATORS FOR IMAGING, THERAPEUTICS, AND BIOANALYSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-15 — — 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-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis TBCA, SLC39A3, TBL3 KDM4E 2013/4885PARP14 2461/4885NQO2 918/4885

“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.

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