SCHEMBL22386529

SCHEMBL22386529

CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O)ccc4o3)c(=O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ USP2 O75604 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CYP19A1 P11511 4/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ SLC16A3 O15427 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SLC16A1 P53985 1/20 0.39

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
SCHEMBL21806091 0.83 ALDH1A1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL25431445 0.78 MAPT (0.40) MAPTNR1H4MEN1KMT2AKDM4E
SCHEMBL25431450 0.78 MAPT (0.40) MAPTNR1H4MEN1KMT2AKDM4E
SCHEMBL29761153 0.76 ALDH1A1 (0.60) MAPTNR1H4MEN1KMT2AKDM4E
SCHEMBL17445577 0.76 ALDH1A1 (0.60) MAPTNR1H4MEN1KMT2AKDM4E
SCHEMBL26073497 0.76 CYP19A1 (0.57) MAPTNR1H4MEN1KMT2AKDM4E
SCHEMBL23419323 0.75 MAPT (0.44) MAPTNR1H4MEN1KMT2AKDM4E
SCHEMBL26082908 0.75 CYP19A1 (0.60) MAPTNR1H4MEN1KMT2AKDM4E
SCHEMBL28625138 0.74 GBA1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL26082647 0.74 CYP19A1 (0.57) MAPTNR1H4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277670-A1 TERTIARY AMINE SUBSTITUTED COUMARIN COMPOUNDS AND USES AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2020-09-03 — — 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 (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-20200277670-A1 TERTIARY AMINE SUBSTITUTED COUMARIN COMPOUNDS AND USES AS FLUORESCENT LABELS FBL, NAT10, DNMT3A MAPT 1401/4885NR1H4 1499/4885MEN1 3144/4885

“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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