SCHEMBL3407971

SCHEMBL3407971

Cc1cccc(N(N)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B1 P14061 7/20 0.40
HSD17B2 P37059 7/20 0.40
PARP1 P09874 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
BRD4 O60885 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL12140384 0.90 BRD4 (0.40) CYP3A4CYP2C9CYP2C19BRD4RAB9A
SCHEMBL22670302 0.84 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL2130967 0.83 HDAC1 (0.42) PARP1BRD4NPC1ALDH1A1HTT
SCHEMBL15550751 0.83 HTR3E (0.43) HSD17B1HSD17B2PARP1BRD4NPC1
SCHEMBL10210873 0.83 BRD4 (0.52) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL4288276 0.82 PARP1 (0.44) HSD17B1HSD17B2PARP1
SCHEMBL2354804 0.82 L3MBTL1 (0.43) CYP3A4CYP2C9CYP2C19BRD4ALDH1A1
SCHEMBL1006925 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL21681359 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL27554186 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2

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
EP-2262795-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 WO disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 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-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 CHRM1, CHRM2, CHRM3 CYP3A4 373/4885CYP2C9 616/4885CYP2C19 430/4885

“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.