SCHEMBL882972

SCHEMBL882972

CCOc1ccnc(C(C)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.47
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SORD Q00796 1/20 0.40
ACACB O00763 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CREBBP Q92793 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL31403767 0.81 MTNR1A (0.47) SORDACACBALDH1A1KDM4ECYP1A2
SCHEMBL882971 0.81 MTNR1A (0.47) SORDACACBALDH1A1KDM4ECYP1A2
SCHEMBL8153396 0.80 L3MBTL1 (0.44) MAPTKMT2ASORDRAB9ASMN1; SMN2
SCHEMBL15058379 0.79 TSHR (0.44) MAPK8MAPTKMT2AALDH1A1KDM4E
SCHEMBL7778662 0.79 MAPK8 (0.39) MAPK8MAPTKMT2ANPSR1ACACB
SCHEMBL9243766 0.79 MAPK8 (0.39) MAPK8MAPTKMT2ANPSR1ACACB
SCHEMBL9243769 0.79 MAPK8 (0.39) MAPK8MAPTKMT2ANPSR1ACACB
SCHEMBL30756486 0.79 MAOB (0.53) MAPTACACBALDH1A1SMN1; SMN2TDP1
SCHEMBL8564074 0.76 MAPK8 (0.36) MAPK8MAPTKMT2ANPSR1ALDH1A1
SCHEMBL25659071 0.74 SORD (0.42) MAPK8NPSR1SORDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 MAPK8 4421/4885MAPT 4566/4885KMT2A 3934/4885

“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.