SCHEMBL16447347

SCHEMBL16447347

CC(C)(C)NC(=O)c1cc[c]nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
JAK2 O60674 1/20 0.36
CYP2C9 P11712 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL16447288 0.83 MEN1 (0.44) JAK2MEN1KMT2AHDAC1HDAC6
SCHEMBL958568 0.80 PLK1 (0.44) HTTSMN1; SMN2HPGDHDAC1HDAC6
SCHEMBL23036848 0.76 CA9 (0.41) HPGDSMAPTLMNAHPGDMEN1
SCHEMBL744546 0.76 LMNA (0.46) POLBMAPTLMNAHTTPRKAB2
SCHEMBL21462602 0.75 P4HTM (0.53) HDAC1HDAC6
SCHEMBL5423464 0.74 HDAC1 (0.66) HPGDSPOLBLMNAPRKAB2PRKAG1
SCHEMBL969161 0.74
SCHEMBL23036851 0.73 NAMPT (0.37) LMNAJAK2CYP2C9ALDH1A1HDAC1
SCHEMBL668428 0.73 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL17865779 0.72 LMNA (0.58) POLBMAPTLMNAHTTPRKAB2

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 HPGDS 1974/4885POLB 1307/4885MAPT 4454/4885

“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.