SCHEMBL4902274

SCHEMBL4902274

O=C(NCCF)Nc1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.66
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
PRMT3 O60678 1/20 0.52
CA2 P00918 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL14423982 0.84 EPHX1 (0.79) EPHX1RAB9ANPC1MAPTMEN1
SCHEMBL3778349 0.84 EPHX1 (0.66) EPHX1RAB9ANPC1MAPTMEN1
SCHEMBL14424451 0.82 EPHX1 (0.89) EPHX1RAB9ANPC1MAPTMEN1
SCHEMBL6875759 0.82 EPHX1 (0.65) EPHX1RAB9ANPC1MAPTMEN1
SCHEMBL14470502 0.82 PRMT3 (0.74) EPHX1RAB9ANPC1MAPTMEN1
SCHEMBL9547503 0.81 RAB9A (0.89) EPHX1RAB9ANPC1MAPTMEN1
SCHEMBL13480580 0.81 EPHX1 (0.69) EPHX1RAB9ANPC1MAPTMEN1
SCHEMBL14424481 0.81 EPHX1 (0.97) EPHX1RAB9ANPC1MAPTALDH1A1
SCHEMBL12196033 0.80 EPHX1 (1.00) EPHX1RAB9ANPC1MAPTALDH1A1
SCHEMBL12196199 0.79 EPHX1 (1.00) EPHX1RAB9ANPC1MAPTCYP1A2

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 1104/4885RAB9A 1593/4885NPC1 873/4885

“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.