SCHEMBL4140655

SCHEMBL4140655

O=C(NCCF)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL8631416 0.84 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL11121639 0.84 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL19304668 0.82 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL17112312 0.82 ALDH1A1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL12931730 0.82 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL5257422 0.82 QPCT (0.45) L3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL21039055 0.81 EGLN3 (0.36) L3MBTL1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL26677849 0.81 L3MBTL1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL10421135 0.80 PAOX (0.43) L3MBTL1ALDH1A1
SCHEMBL17209724 0.79 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2NPC1MAPT

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 5 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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 (2 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 L3MBTL1 3940/4885ALDH1A1 1565/4885SMN1; SMN2 2937/4885
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A L3MBTL1 3242/4885ALDH1A1 389/4885SMN1; SMN2 2419/4885

“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.