SCHEMBL353627

SCHEMBL353627

CN(C(=O)c1ccon1)c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.35
RAB9A P51151 8/20 0.33
NPC1 O15118 7/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 2/20 0.33
CHRNA4 P43681 2/20 0.33
MEN1 O00255 1/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.32
RAPGEF3 O95398 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2362735 0.76 CHRNA4 (0.39) RAB9ANPC1KMT2ASMN1; SMN2CHRNA4
SCHEMBL13728573 0.75 S1PR4 (0.36) S1PR4RAB9ANPC1KMT2AMAPT
SCHEMBL9512940 0.74 HSD17B1 (0.51) MAPTSMN1; SMN2TP53
SCHEMBL18920572 0.73 KMT2A (0.50) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL1694938 0.72 LMNA (0.41) S1PR4RAB9ANPC1KMT2AMAPT
SCHEMBL3577961 0.72 SMN1; SMN2 (0.47) S1PR4RAB9ANPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL5352593 0.71 SMN1; SMN2 (0.46) S1PR4RAB9ANPC1KMT2AMAPT
SCHEMBL9547540 0.71 CES2 (0.39) S1PR4RAB9ANPC1KMT2AMAPT
SCHEMBL9483989 0.71 ALOX5 (0.47) S1PR4RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL11722748 0.70 CHRNA4 (0.36) RAB9ANPC1CHRNA4RAPGEF3RAPGEF4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA S1PR4 4130/4885RAB9A 1714/4885NPC1 3444/4885

“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.