SCHEMBL3454061

SCHEMBL3454061

O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(Oc2ccccc2)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 2/20 0.58
ALPL P05186 9/20 0.51
PGR P06401 2/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3454451 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAALPLPGR
SCHEMBL3454118 0.79 KMT2A (0.55) ALDH1A1KMT2ALMNAALPLPGR
SCHEMBL3717535 0.78 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAALPLTP53
SCHEMBL15212089 0.73 ALDH1A1 (0.76) ALDH1A1KMT2ALMNAALPLTP53
SCHEMBL1094118 0.69 MEN1 (0.73) ALDH1A1KMT2ALMNATP53TDP1
SCHEMBL9577186 0.69 PGR (0.57) ALDH1A1KMT2ALMNAPGRMEN1
SCHEMBL31661903 0.69 MEN1 (0.73) ALDH1A1KMT2ALMNATP53TDP1
SCHEMBL8563450 0.69 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAALPLPGR
SCHEMBL15212055 0.68 ALPL (1.00) ALDH1A1LMNAALPL
SCHEMBL3454455 0.67 THRA (0.43) ALDH1A1KMT2ALMNATDP1MEN1

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-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R ALDH1A1 2767/4885KMT2A 4290/4885LMNA 3418/4885

“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.