SCHEMBL3579816

SCHEMBL3579816

O=C(NCCOc1ccc(F)cc1)Nc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
RAB9A P51151 3/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL4893345 0.76 HTT (0.58) LMNASMN1; SMN2HTTRAB9AKMT2A
SCHEMBL3446997 0.73 SMN1; SMN2 (0.55) LMNASMN1; SMN2HTTRAB9AKMT2A
SCHEMBL5118025 0.72 TRPV1 (0.49) LMNA
SCHEMBL5105662 0.72 TRPV1 (0.49) LMNA
SCHEMBL5111558 0.72 TRPV1 (0.49) LMNA
SCHEMBL31483051 0.71 SMN1; SMN2 (0.53) LMNASMN1; SMN2HTTRAB9AKMT2A
SCHEMBL5113209 0.71 MTNR1A (0.73) LMNASMN1; SMN2RAB9AKMT2AL3MBTL1
SCHEMBL10595904 0.70 MTNR1A (0.63) LMNASMN1; SMN2HTTRAB9AKMT2A
SCHEMBL13235126 0.70 HTT (0.81) LMNASMN1; SMN2HTTRAB9AKMT2A
SCHEMBL13480591 0.70 GAA (0.59) LMNASMN1; SMN2HTTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A LMNA 4055/4885SMN1; SMN2 891/4885HTT 2520/4885

“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.