SCHEMBL4901844

SCHEMBL4901844

O=C(NCCF)NCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.55
RIPK1 Q13546 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 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
SCHEMBL4900916 0.82 ALDH1A1 (0.55) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL4892285 0.82 NPC1 (0.49) PPIAKMT2AMEN1RAB9ANPC1
SCHEMBL4902891 0.82 KMT2A (0.50) RIPK1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10172935 0.81 RIPK1 (0.60) PPIARIPK1KMT2AMEN1HPGD
SCHEMBL4901901 0.80 EPHX2 (0.52) RAB9ANPC1CNR1
SCHEMBL8337914 0.79 RIPK1 (0.58) PPIARIPK1KMT2AMEN1HPGD
SCHEMBL4893825 0.78 RAB9A (0.57) KMT2AMEN1RAB9ANPC1CNR1
SCHEMBL3902055 0.78 CNR1 (0.49) PPIAKMT2AMEN1RAB9ANPC1
SCHEMBL14088790 0.77 EPHX1 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3559924 0.77 RIPK1 (0.58) PPIARIPK1KMT2AMEN1HPGD

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 PPIA 4455/4885RIPK1 4878/4885KMT2A 1150/4885

“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.