SCHEMBL320761

SCHEMBL320761

O=C(O)NCCNC(=S)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
ABAT P80404 1/20 0.66
RAB9A P51151 3/20 0.64
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
NPC1 O15118 2/20 0.64
LMNA P02545 6/20 0.62
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 6/20 0.58
MAPT P10636 3/20 0.58
ALOX12 P18054 2/20 0.58
CYP3A4 P08684 2/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 4/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL3901864 0.91 KMT2A (0.64) KMT2AABATRAB9AMAOAMAOB
SCHEMBL8956279 0.90 KMT2A (0.78) KMT2AABATRAB9AMAOAMAOB
SCHEMBL10077284 0.86 KMT2A (0.67) KMT2AABATRAB9AMAOAMAOB
SCHEMBL14612489 0.84 RAB9A (0.77) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL14515852 0.83 LMNA (0.64) KMT2AABATRAB9AMAOAMAOB
SCHEMBL18243810 0.81 KMT2A (0.71) KMT2AABATRAB9AMAOAMAOB
SCHEMBL325607 0.81 EPHX1 (0.64) KMT2ARAB9ANPC1LMNAALDH1A1
SCHEMBL5138189 0.81 KMT2A (0.73) KMT2AABATRAB9AMAOAMAOB
SCHEMBL11672644 0.81 CA1 (0.68) KMT2AABATRAB9AMAOAMAOB
SCHEMBL15224204 0.81 KMT2A (0.60) KMT2AABATRAB9AMAOAMAOB

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 5 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
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 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 (2 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 KMT2A 4656/4885ABAT 4173/4885RAB9A 709/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 KMT2A 3603/4885ABAT 650/4885RAB9A 3084/4885

“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.