SCHEMBL4900916

SCHEMBL4900916

Cc1ccccc1CNC(=O)NCCF

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 1/20 0.46

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
SCHEMBL24576210 0.88 ALDH1A1 (0.68) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL4895030 0.85 NPC1 (0.47) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL15313573 0.85 ALDH1A1 (0.43) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL4893856 0.83 MTNR1A (0.40) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL4901844 0.82 PPIA (0.55) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL4902891 0.81 KMT2A (0.50) ALDH1A1NPC1RAB9AKMT2ALMNA
SCHEMBL4892285 0.81 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17787939 0.80 ALDH1A1 (0.62) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL4896207 0.79 RAB9A (0.55) NPC1RAB9AKMT2AMEN1
SCHEMBL4901901 0.78 EPHX2 (0.52) NPC1RAB9A

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 ALDH1A1 389/4885HPGD 2416/4885NPC1 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.