SCHEMBL4869783

SCHEMBL4869783

O=C(C[S+]([O-])c1nc(-c2cccnc2)n[nH]1)Nc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XBP1 P17861 1/20 0.51
STAT3 P40763 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NOTUM Q6P988 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL14195577 0.89 ROCK2 (0.53) SMN1; SMN2MEN1KMT2AMAPTPRKCA
SCHEMBL4873541 0.80 SMN1; SMN2 (0.52) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL4864431 0.80 XBP1 (0.53) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL4868681 0.79 POLB (0.54) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL14195573 0.69 ROCK2 (0.53) SMN1; SMN2NOTUMMEN1KMT2AMAPT
SCHEMBL14082537 0.68 SMN1; SMN2 (0.67) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL4873966 0.68 ROCK2 (0.64) SMN1; SMN2MEN1KMT2AMAPTPRKCA
SCHEMBL14195576 0.68 ROCK2 (0.58) SMN1; SMN2MEN1KMT2AMAPTPRKCA
SCHEMBL8320877 0.67 POLB (0.57) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL14880012 0.66 MEN1 (0.89) SMN1; SMN2MEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US claimed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 XBP1 253/4885STAT3 1204/4885GSK3A 39/4885

“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.