SCHEMBL439950

SCHEMBL439950

Cc1ccc(CNC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
TP53 P04637 3/20 0.49
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL9002860 0.85 SLC1A2 (0.54) SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL25678256 0.82 MAPT (0.40) KMT2AMEN1LMNAPOLB
SCHEMBL20630873 0.80 MEN1 (0.50) KMT2AMEN1CYP2C19CYP1A2
SCHEMBL12140988 0.80 HTR2C (0.48) KMT2ASMN1; SMN2CYP3A4CYP2C19CYP2C9
SCHEMBL15896085 0.78 KMT2A (0.44) KMT2AMEN1SMN1; SMN2CYP2C19NPC1
SCHEMBL4399509 0.77 NPC1 (0.54) SMN1; SMN2LMNANPC1POLBALDH1A1
SCHEMBL12995673 0.77 NAMPT (0.57)
SCHEMBL10117993 0.76 TSHR (0.61) KMT2ATP53MEN1SMN1; SMN2LMNA
SCHEMBL9003061 0.75 RECQL (0.54) KMT2ACYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL130859 0.75 NAMPT (0.47) KMT2AMEN1SMN1; SMN2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 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 (2 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 KMT2A 409/4885TP53 3503/4885MEN1 2073/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 KMT2A 535/4885TP53 2963/4885MEN1 1842/4885

“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.