SCHEMBL5484470

SCHEMBL5484470

C(=NCCN1CCOCC1)=NC1CCCCC1.Cc1cccc(C)c1S(=O)(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL4015131 0.89 CYP1A2 (0.61) CYP1A2CYP2C9MEN1KMT2ATSHR
SCHEMBL721934 0.89 CYP1A2 (0.58) CYP1A2CYP2C9TSHRPKMNPC1
SCHEMBL11217225 0.89 CYP1A2 (0.58) CYP1A2CYP2C9MEN1KMT2ATSHR
P-Xylene SCHEMBL3752326 0.87 CYP1A2 (0.70) CYP1A2CYP2C9POLBTSHRTP53
SCHEMBL3459786 0.86 CYP1A2 (0.65) CYP1A2CYP2C9MEN1KMT2APOLB
SCHEMBL19433083 0.86 CYP1A2 (0.59) CYP1A2CYP2C9MEN1KMT2ATSHR
SCHEMBL7135046 0.86 CYP1A2 (0.54) CYP1A2CYP2C9MEN1KMT2APOLB
SCHEMBL335424 0.85 CYP1A2 (0.61) CYP1A2CYP2C9MEN1KMT2APOLB
SCHEMBL2729317 0.84 CYP1A2 (0.80) CYP1A2CYP2C9TSHRPKMALDH1A1
Sulfuric Acid SCHEMBL31183034 0.84 CYP1A2 (0.84) CYP1A2CYP2C9TSHRCNR1CNR2

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
US-20070123723-A1 Photoinitiator with phase change properties and gellant affinity XEROX CORPORATION 2007-05-31 US disclosed
WO-2005117932-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2005-12-15 WO 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.