SCHEMBL5857463

SCHEMBL5857463

O=S(=O)(c1cc(Cl)cc(Cl)c1)N1[CH]CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 5/20 0.41
FKBP1A P62942 1/20 0.41
KDM2B Q8NHM5 1/20 0.37
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ITGB1 P05556 3/20 0.36

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
SCHEMBL6809423 0.95 CNR1 (0.42) ALDH1A1MEN1KMT2ACNR1FKBP1A
SCHEMBL6805205 0.85 CNR1 (0.45) ALDH1A1MEN1KMT2ACNR1FKBP1A
SCHEMBL5915288 0.82 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL6809424 0.77 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACNR1FKBP1A
SCHEMBL6809422 0.77 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACNR1FKBP1A
SCHEMBL293776 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4EPOLBTSHR
SCHEMBL3317094 0.71 PKM (0.57) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL27974779 0.70 CNR1 (0.54) ALDH1A1MEN1KMT2ACNR1TMEM97
SCHEMBL4821352 0.69 KMT2A (0.47) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL4610558 0.69 ACLY (0.53)

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-7034043-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-04-25 US claimed
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.