SCHEMBL7201840

SCHEMBL7201840

BrCC1=Cc2c(ccc3c2OCCO3)OC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
ALOX5 P09917 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
SCHEMBL7201190 0.83 ITGB2 (0.33) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7199997 0.83 ITGB2 (0.33) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7962738 0.74 MTNR1A (0.54)
SCHEMBL7204971 0.73 KMT2A (0.44) LMNASMN1; SMN2
SCHEMBL7199643 0.71 KDM4E (0.34) ITGB2ICAM1ITGALHTT
SCHEMBL7206601 0.70 MTNR1A (0.56) LMNASMN1; SMN2HTT
SCHEMBL7200002 0.70 ADRA2A (0.33) HTT
SCHEMBL28892534 0.65 MEN1 (0.33) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL30002318 0.65 MEN1 (0.33) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL2023947 0.62 MTNR1A (0.53) ITGB2ICAM1ITGALLMNACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 ITGB2 3876/4885ICAM1 4109/4885ITGAL 3439/4885

“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.