SCHEMBL19280960

SCHEMBL19280960

O=C(O)CCOCCOCCN1C(=O)C(Br)=C(Br)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
MGLL Q99685 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
RAB9A P51151 1/20 0.30

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
SCHEMBL15414992 1.00 ALDH1A1 (0.42) ALDH1A1PKMMGLLSMN1; SMN2NPSR1
SCHEMBL16283418 0.98 ALDH1A1 (0.43) ALDH1A1PKMMGLLSMN1; SMN2NPSR1
SCHEMBL18157044 0.90 ALDH1A1 (0.40) ALDH1A1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL30881150 0.86 MGLL (0.40) ALDH1A1PKMMGLLSMN1; SMN2MEN1
SCHEMBL26421368 0.83 MGLL (0.36) ALDH1A1PKMMGLLSMN1; SMN2RAB9A
SCHEMBL15415134 0.80 MGLL (0.42) ALDH1A1PKMMGLLSMN1; SMN2NPSR1
SCHEMBL24581861 0.79 ALDH1A1 (0.63) ALDH1A1PKMNPSR1MEN1KMT2A
SCHEMBL2577129 0.79 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL21158480 0.79 MGLL (0.33) ALDH1A1PKMMGLLRAB9A
SCHEMBL29631632 0.79 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148895-A1 ANTIBODY-DRUG CONJUGATE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-05-09 US disclosed
WO-2024043319-A1 ANTIBODY-DRUG COMPLEX エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-02-29 WO disclosed
WO-2023131219-A1 CONJUGATES, COMPOSITIONS AND METHODS OF USE VIRTUOSO BINCO, INC. (US) 2023-07-13 WO disclosed
US-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE SENSEI BIOTHERAPEUTICS, INC. 2019-07-11 US disclosed
EP-3209334-A2 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Igenica Biotherapeutics, Inc. (US) 2017-08-30 EP 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-20240148895-A1 ANTIBODY-DRUG CONJUGATE ANTXR2, FCGR1A, HAX1 ALDH1A1 927/4885PKM 4106/4885MGLL 4205/4885
US-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYTH3, CD47, FCGRT ALDH1A1 2978/4885PKM 4546/4885MGLL 4009/4885

“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.