SCHEMBL6809422

SCHEMBL6809422

O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.57
CNR1 P21554 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
FKBP1A P62942 1/20 0.55
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
VCAM1 P19320 1/20 0.51
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL6809424 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL13404404 0.87 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL13404394 0.86 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL27974779 0.84 CNR1 (0.54) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4395824 0.82 MAPT (0.69) ALDH1A1MEN1KMT2AUSP2CNR1
Hydrochloric Acid SCHEMBL17061716 0.81 MAPT (0.67) ALDH1A1MEN1KMT2AUSP2CNR1
SCHEMBL15010078 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4555970 0.80 ALDH1A1 (0.97) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL31684032 0.80 ALDH1A1 (0.97) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL2705461 0.79 L3MBTL1 (0.83) ALDH1A1MEN1KMT2APOLBKDM4E

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-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed

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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ALDH1A1 631/4885MEN1 3126/4885KMT2A 2350/4885

“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.