SCHEMBL19891197

SCHEMBL19891197

O=C(O)CNC(=O)CNC(=O)CN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ HPGD P15428 3/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ MAPT P10636 1/20 0.68
▸ AKR1B1 P15121 1/20 0.68
▸ ALOX15 P16050 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.58
▸ HEXA P06865 1/20 0.54
▸ HEXB P07686 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HTT P42858 2/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL19886995 0.97 KDM4E (0.72) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL16057586 0.85 CA12 (0.66) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL29831664 0.85 CA12 (0.66) KDM4EALDH1A1MEN1KMT2AHPGD
Alrestatin SCHEMBL31745280 0.82 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AHPGD
Alrestatin SCHEMBL450743 0.82 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL25583414 0.81 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AHPGD
Alrestatin SCHEMBL636522 0.81 KDM4E (0.97) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL19891055 0.79 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL19891133 0.79 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL19891009 0.78 ACE (0.48) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10725046-B2 Water-soluble peptide fluorescence material NATIONAL CHIAO TUNG UNIVERSITY (TW) 2020-07-28 — — US disclosed
US-20190120849-A1 WATER-SOLUBLE PEPTIDE FLUORESCENCE MATERIAL NATIONAL CHIAO TUNG UNIVERSITY (TW) 2019-04-25 — — US disclosed
US-10222381-B2 Water-soluble peptide fluorescence material NATIONAL CHIAO TUNG UNIVERSITY (TW) 2019-03-05 — — US disclosed
US-20180052170-A1 WATER-SOLUBLE PEPTIDE FLUORESCENCE MATERIAL NATIONAL CHIAO TUNG UNIVERSITY (TW) 2018-02-22 — — 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 (4 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-20180052170-A1 WATER-SOLUBLE PEPTIDE FLUORESCENCE MATERIAL OGFRL1, NGLY1, SLC7A5 KDM4E 4877/4885ALDH1A1 2983/4885MEN1 2908/4885
US-20190120849-A1 WATER-SOLUBLE PEPTIDE FLUORESCENCE MATERIAL OGFRL1, NGLY1, ARGLU1 KDM4E 4872/4885ALDH1A1 2953/4885MEN1 3022/4885
US-10222381-B2 Water-soluble peptide fluorescence material OGFRL1, NGLY1, SLC7A5 KDM4E 4877/4885ALDH1A1 2983/4885MEN1 2908/4885
US-10725046-B2 Water-soluble peptide fluorescence material OGFRL1, NGLY1, ARGLU1 KDM4E 4872/4885ALDH1A1 2953/4885MEN1 3022/4885

“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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