SCHEMBL722947

SCHEMBL722947

C(=NCCN1CCOCC1)=NC1CCCCC1.CC(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.41
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 2/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 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
Phenylmethanesulfonic Acid SCHEMBL11217222 0.83 CYP1A2 (0.64) CYP1A2CYP2C9MEN1KMT2AALDH1A1
P-Xylene SCHEMBL3752326 0.83 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL2729317 0.82 CYP1A2 (0.80) CYP1A2CYP2C9ALDH1A1KDM4E
Sulfuric Acid SCHEMBL31183034 0.82 CYP1A2 (0.84) CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL4015131 0.82 CYP1A2 (0.61) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL5484470 0.81 CYP1A2 (0.63) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL3459786 0.81 CYP1A2 (0.65) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL19433083 0.80 CYP1A2 (0.59) CYP1A2CYP2C9MEN1KMT2ASMN1; SMN2
Ethylbenzene SCHEMBL7167647 0.80 CYP1A2 (0.71) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL335423 0.79 CYP1A2 (0.63) CYP1A2CYP2C9MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027033-A1 COMPOUNDS AND METHODS FOR MODULATING TARGET NUCLEAR AND SUB-NUCLEAR NUCLEIC ACID MOLECULES IN CELLS AND ANIMALS ISIS PHARMACEUTICALS, INC. (US) 2012-03-01 WO disclosed
US-20070123723-A1 Photoinitiator with phase change properties and gellant affinity XEROX CORPORATION 2007-05-31 US disclosed
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 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-20070123723-A1 Photoinitiator with phase change properties and gellant affinity NR2E3, NR4A1, NR4A3 CYP1A2 99/4885CYP2C9 398/4885MEN1 4531/4885

“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.