SCHEMBL22845003

SCHEMBL22845003

O=C(CCl)Nc1cc(NC(=O)CCl)cc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
HTT P42858 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
MITF O75030 4/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
RNF4 P78317 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GSTO1 P78417 1/20 0.35

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
SCHEMBL20528840 0.86 ALDH1A1 (0.39) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL22845018 0.80 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL19911199 0.78 NSD2 (0.40) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL13404895 0.77 MGLL (0.37) ALDH1A1HTTSMN1; SMN2HPGDL3MBTL1
SCHEMBL22833186 0.76 KDM4E (0.54) ALDH1A1HTTSMN1; SMN2HPGDL3MBTL1
SCHEMBL10076741 0.74 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2HPGDL3MBTL1LMNA
SCHEMBL12092089 0.74 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL6018300 0.72 HTR3E (0.41) ALDH1A1HTTSMN1; SMN2HPGDL3MBTL1
SCHEMBL17747110 0.72 CA12 (0.46) ALDH1A1SMN1; SMN2HPGDL3MBTL1LMNA
SCHEMBL7769437 0.72 ALDH1A1 (0.54) ALDH1A1HPGDLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220249687-A1 BIS(2-HALOACETAMIDO)-COMPOUNDS FOR USE AS LINKING AGENTS AND RESULTANT PRODUCTS WHICH COMPRISE ANTIBODIES, HALF-ANTIBODIES AND ANTIBODY FRAGMENTS THE UNIVERSITY OF BATH (GB) 2022-08-11 US disclosed
WO-2020260514-A1 BIS(2-HALOACETAMIDO)-COMPOUNDS FOR USE AS LINKING AGENTS AND RESULTANT PRODUCTS WHICH COMPRISE ANTIBODIES, HALF-ANTIBODIES AND ANTIBODY FRAGMENTS THE UNIVERSITY OF BATH (GB) 2020-12-30 WO 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-20220249687-A1 BIS(2-HALOACETAMIDO)-COMPOUNDS FOR USE AS LINKING AGENTS AND RESULTANT PRODUCTS WHICH COMPRISE ANTIBODIES, HALF-ANTIBODIES AND ANTIBODY FRAGMENTS PAICS, PA2G4, GSTM2 ALDH1A1 307/4885HTT 568/4885SMN1; SMN2 2978/4885

“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.