SCHEMBL16447346

SCHEMBL16447346

CC(C)(C)C(=O)Nc1cc[c]nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL23036842 0.84 L3MBTL1 (0.42) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1116572 0.81 SMN1; SMN2 (0.45) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL4995176 0.79 SMN1; SMN2 (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23387944 0.79 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4988646 0.78 NAMPT (0.49) CA12CA1CA9
SCHEMBL26654185 0.77 MAPT (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8507258 0.75 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL54917 0.75 L3MBTL1 (0.75) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL754621 0.75 KDM4E (0.39) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7733701 0.74 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105451558-B Pyrazolyl pyrrolinone and its purposes as herbicide 先正达参股股份有限公司 2018-10-23 CN disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 EP disclosed
EP-3030081-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES Syngenta Participations AG (CH) 2016-06-15 EP disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
WO-2015018431-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 L3MBTL1 1725/4885MAPT 4454/4885ALDH1A1 300/4885

“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.