SCHEMBL4902252

SCHEMBL4902252

O=C(NCCF)Nc1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.73
KDM4E B2RXH2 9/20 0.66
GSK3B P49841 1/20 0.66
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 1/20 0.59
NPY5R Q15761 1/20 0.57
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TRPV1 Q8NER1 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL15190485 0.88 EPHX1 (0.58) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL12196197 0.84 EPHX1 (1.00) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL10089308 0.82 EPHX1 (0.83) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL1276481 0.81 KDM4E (0.82) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL30393282 0.81 KDM4E (0.82) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL13480552 0.81 EPHX1 (0.77) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL14424459 0.81 EPHX1 (0.81) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL2432848 0.80 CASR (0.67) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL29971510 0.79 KDM4E (1.00) EPHX1KDM4EGSK3BMEN1KMT2A
SCHEMBL1395176 0.79 KDM4E (1.00) EPHX1KDM4EGSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A EPHX1 1104/4885KDM4E 1239/4885GSK3B 4103/4885

“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.