SCHEMBL4897469

SCHEMBL4897469

Cc1nn(C)c(C)c1CNC(=O)NCCF

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SHMT2 P34897 2/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44
TP53 P04637 3/20 0.41
P2RX7 Q99572 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL12019280 0.78 RAB9A (0.56) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL4905769 0.77 HTT (0.57) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL23932998 0.74 RAB9A (0.52) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL12017886 0.74 RAB9A (0.52) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL10864189 0.68 RAB9A (0.43) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL3008507 0.68 KMT2A (0.51) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL17471010 0.66 SMN1; SMN2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL17471008 0.66 SMN1; SMN2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL17792798 0.66 SHMT2 (1.00) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL13100036 0.65 RAB9A (0.42) RAB9ANPC1KMT2ASMN1; SMN2KDM4E

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 RAB9A 1593/4885NPC1 873/4885KMT2A 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.