SCHEMBL320808

SCHEMBL320808

COc1ccc(NC(=O)NCCNC(=O)O)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
HTT P42858 3/20 0.60
POLB P06746 3/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 4/20 0.55
ATM Q13315 1/20 0.55
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CNR1 P21554 1/20 0.54
GLA P06280 1/20 0.53
MAPK1 P28482 1/20 0.53

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
Bromide SCHEMBL320987 0.85 ALDH1A1 (0.60) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL6566860 0.84 EPHX2 (0.69) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL10777166 0.82 ALDH1A1 (0.68) ALDH1A1HTTPOLBMEN1KMT2A
Fluoride SCHEMBL11789683 0.81 ALDH1A1 (0.67) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL31054226 0.80 SMN1; SMN2 (0.71) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL11685462 0.80 SMN1; SMN2 (0.63) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL11754054 0.80 SMN1; SMN2 (0.63) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL5860120 0.79 ALDH1A1 (0.67) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL30475554 0.79 ALDH1A1 (0.67) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2008813 0.78 ALDH1A1 (0.70) ALDH1A1HTTPOLBMEN1KMT2A

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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 ALDH1A1 3375/4885HTT 4675/4885POLB 2725/4885

“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.