SCHEMBL7053933

SCHEMBL7053933

C[CH]N(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RELA Q04206 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL8559720 0.79 MEN1 (0.41) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL8559716 0.79 MEN1 (0.41) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL17436357 0.79 MEN1 (0.41) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL16935739 0.76 KMT2A (0.42) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL5526432 0.76 MEN1 (0.48) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL1332400 0.76 MEN1 (0.48) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL3293248 0.76 MEN1 (0.42) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL66606 0.76 MEN1 (0.48) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL29959966 0.76 MEN1 (0.48) MEN1KMT2AHTTALDH1A1ALOX15
SCHEMBL1740936 0.76 MEN1 (0.42) MEN1KMT2AHTTALDH1A1ALOX15

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
EP-1129083-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-05 EP claimed
WO-2000029398-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2000-05-25 WO claimed
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 US disclosed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 US disclosed
US-9510598-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2016-12-06 US disclosed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
EP-1129083-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-05 EP disclosed
WO-2000029398-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2000-05-25 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 (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-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 MEN1 3374/4885KMT2A 1634/4885HTT 919/4885
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 MEN1 3374/4885KMT2A 1634/4885HTT 919/4885

“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.