SCHEMBL4893352

SCHEMBL4893352

O=C(NCCF)NCc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 3/20 0.61
NPC1 O15118 3/20 0.61
ALOX15 P16050 1/20 0.58
P2RX7 Q99572 1/20 0.57
KMT2A Q03164 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL29460273 0.88 SMN1; SMN2 (0.79) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL21065524 0.88 SMN1; SMN2 (0.79) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18317201 0.87 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18317195 0.87 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18318217 0.86 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18317153 0.86 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18317379 0.86 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18317545 0.86 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18317563 0.86 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL18317155 0.86 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15P2RX7

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 SMN1; SMN2 2419/4885RAB9A 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.