SCHEMBL19726654

SCHEMBL19726654

CC(C)C(=O)NCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GLP1R P43220 7/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 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
SCHEMBL19732580 0.99 HPGD (0.43) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL17885894 0.97 SMN1; SMN2 (0.48) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL20364151 0.92 HPGD (0.40) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL20008742 0.90 SMN1; SMN2 (0.48) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL19726655 0.89 SMN1; SMN2 (0.44) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL19732579 0.87 SMN1; SMN2 (0.46) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL20365824 0.87 SMN1; SMN2 (0.46) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL19732577 0.86 SMN1; SMN2 (0.45) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL21767237 0.86 SMN1; SMN2 (0.45) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL16234542 0.86 SMN1; SMN2 (0.45) HPGDHTTSMN1; SMN2TSHRGLP1R

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-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 — — US disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 — — US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 — — US disclosed
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 — — US disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 — — WO disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — 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 (6 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM HPGD 3738/4885HTT 1559/4885SMN1; SMN2 2230/4885
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 HPGD 2327/4885HTT 2150/4885SMN1; SMN2 3628/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM HPGD 3738/4885HTT 1559/4885SMN1; SMN2 2230/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 HPGD 2327/4885HTT 2150/4885SMN1; SMN2 3628/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 HPGD 2327/4885HTT 2150/4885SMN1; SMN2 3628/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 HPGD 2327/4885HTT 2150/4885SMN1; SMN2 3628/4885

“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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