SCHEMBL600235

SCHEMBL600235

O=C(CBr)N[C@@H]1CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 2/20 0.56
HPGD P15428 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
EPHX2 P34913 2/20 0.53
HTT P42858 2/20 0.52
PDPK1 O15530 1/20 0.51
DHODH Q02127 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
TAOK1 Q7L7X3 1/20 0.50
TAOK3 Q9H2K8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL6390944 1.00 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL4010530 0.91 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL4009579 0.91 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL4003611 0.91 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL4863252 0.88 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL7154380 0.87 ALDH1A1 (0.64) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL21766236 0.87 ALDH1A1 (0.64) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL5969797 0.87 ALDH1A1 (0.64) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL25106886 0.86 ALDH1A1 (0.62) ALDH1A1TSHRHPGDTAS1R3TAS1R1
SCHEMBL21765671 0.85 ALDH1A1 (0.49) ALDH1A1TSHRHPGDTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592674-B1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2014-03-05 EP disclosed
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-04-26 US disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 EP disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 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-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 ALDH1A1 797/4885TSHR 342/4885HPGD 2625/4885
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators IL4I1, DAO, CYP4Z1 ALDH1A1 512/4885TSHR 600/4885HPGD 2691/4885

“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.