SCHEMBL10195463

SCHEMBL10195463

CCc1ccc(Oc2nc3ccc([N+](=O)[O-])cc3s2)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
AHR P35869 1/20 0.36
HTT P42858 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
CLK1 P49759 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RIPK1 Q13546 1/20 0.34
NOD2 Q9HC29 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL10195462 0.88 SMN1; SMN2 (0.39) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10195507 0.88 MAPT (0.44) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10195516 0.88 LTA4H (0.34) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13286529 0.87 MAPT (0.34) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10195515 0.87 LTA4H (0.44) SMN1; SMN2CYP3A4LTA4H
SCHEMBL10196227 0.84 KMT2A (0.41) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10195521 0.83 LTA4H (0.34) HTTCYP3A4LTA4H
SCHEMBL10195523 0.79 CYP1A2 (0.40) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL16351646 0.79 KMT2A (0.39) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10195550 0.77 KMT2A (0.36) KMT2AMAPTALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KMT2A 839/4885MAPT 3785/4885ALDH1A1 45/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KMT2A 674/4885MAPT 3903/4885ALDH1A1 14/4885

“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.