SCHEMBL4244576

SCHEMBL4244576

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR3C1 P04150 5/20 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
POLB P06746 1/20 0.30
PGR P06401 1/20 0.30
PDE4B Q07343 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL4245180 0.83 RAB9A (0.38) RAB9ASMN1; SMN2NR3C1TSHRMAPK1
SCHEMBL3436915 0.81 RAB9A (0.36) RAB9ASMN1; SMN2NR3C1TSHRMAPK1
SCHEMBL4244574 0.80 SMN1; SMN2 (0.34) RAB9ASMN1; SMN2NR3C1TSHRMAPK1
SCHEMBL4246225 0.80 ALDH1A1 (0.37) RAB9ASMN1; SMN2NR3C1TSHRMAPK1
SCHEMBL3436957 0.78 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2NR3C1TSHRMAPK1
Ethanesulfonic Acid Amide SCHEMBL3436960 0.75 ALDH1A1 (0.37) RAB9ASMN1; SMN2TSHRMAPK1TDP1
SCHEMBL9076246 0.73 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2NR3C1TSHRMAPK1
SCHEMBL9076935 0.73 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NR3C1TSHRMAPK1
SCHEMBL7057676 0.71 MEN1 (0.32) RAB9ASMN1; SMN2NR3C1MEN1KMT2A
SCHEMBL6449660 0.71 RAB9A (0.38) RAB9ASMN1; SMN2TSHRMAPK1TDP1

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-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-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 RAB9A 2932/4885SMN1; SMN2 4541/4885NR3C1 1767/4885
US-20040176253-A1 Substitued arylketones CYP1B1, CYP1A1, CYP2E1 RAB9A 2755/4885SMN1; SMN2 2728/4885NR3C1 1113/4885
US-20090042730-A1 Substituted Arylketones CYP1A1, CYP1B1, CYP1A2 RAB9A 2880/4885SMN1; SMN2 3889/4885NR3C1 1849/4885

“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.