SCHEMBL4244574

SCHEMBL4244574

CCn1ncc(C(=O)c2ccc(Cl)c(OCCNC(=S)NC)c2Cl)c1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
NR3C1 P04150 6/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BLM P54132 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PGR P06401 1/20 0.30
PDE4B Q07343 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
SCHEMBL4246225 0.88 ALDH1A1 (0.37) SMN1; SMN2RAB9AALDH1A1NR3C1TSHR
SCHEMBL4245180 0.84 RAB9A (0.38) SMN1; SMN2RAB9AALDH1A1NR3C1TSHR
SCHEMBL3436957 0.83 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AHTTALDH1A1NR3C1
SCHEMBL3436915 0.82 RAB9A (0.36) SMN1; SMN2RAB9AALDH1A1NR3C1TSHR
SCHEMBL4244576 0.80 RAB9A (0.34) SMN1; SMN2RAB9ANR3C1TSHRMAPK1
Ethanesulfonic Acid Amide SCHEMBL3436960 0.76 ALDH1A1 (0.37) SMN1; SMN2RAB9AHTTALDH1A1TSHR
SCHEMBL9076935 0.73 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AHTTNPSR1ALDH1A1
SCHEMBL7057676 0.72 MEN1 (0.32) SMN1; SMN2RAB9ANR3C1MEN1KMT2A
SCHEMBL4248768 0.71 ALDH1A1 (0.34) ALDH1A1NR3C1KDM4ELMNA
SCHEMBL9076246 0.71 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AHTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-20060252647-A1 Herbicides; broad active spectrum; on soil and above ground plant parts use HERRMANN STEFAN 2006-11-09 US disclosed
US-7112554-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2006-09-26 US disclosed
US-20040176253-A1 Substitued arylketones BAYER CROPSCIENCE AG (DE) 2004-09-09 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 (3 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-20060252647-A1 Herbicides; broad active spectrum; on soil and above ground plant parts use CYP1A1, CYP1A2, CYP4X1 SMN1; SMN2 4541/4885RAB9A 2932/4885HTT 965/4885
US-20040176253-A1 Substitued arylketones CYP1B1, CYP1A1, CYP2E1 SMN1; SMN2 2728/4885RAB9A 2755/4885HTT 877/4885
US-20090042730-A1 Substituted Arylketones CYP1A1, CYP1B1, CYP1A2 SMN1; SMN2 3889/4885RAB9A 2880/4885HTT 1308/4885

“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.