SCHEMBL22845018

SCHEMBL22845018

O=C(CCl)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1NC(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL22845003 0.80 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2HPGDPOLB
SCHEMBL22833162 0.78 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2TSHRHPGD
SCHEMBL7990866 0.78 CYP17A1 (0.38) HPGDKDM4E
SCHEMBL300884 0.73 CA12 (0.42) ALDH1A1SMN1; SMN2HPGDKDM4ETHRB
SCHEMBL20261726 0.73 MEN1 (0.58) ALDH1A1HTTSMN1; SMN2HPGDPOLB
SCHEMBL6512773 0.72 KDM4E (0.37) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL24344000 0.72 TSHR (0.46) ALDH1A1TSHRHPGDKDM4ENPC1
SCHEMBL17208731 0.72 CA1 (0.44) ALDH1A1HTTHPGDKDM4ENPC1
SCHEMBL14860981 0.71 MAPK1 (0.48) ALDH1A1TSHRHPGDPOLBMAPK1
SCHEMBL12756281 0.70 MAPK1 (0.35) ALDH1A1SMN1; SMN2TSHRHPGDPOLB

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.