SCHEMBL852200

SCHEMBL852200

COCC(C(O)c1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP19A1 P11511 7/20 0.44
HSP90AA1 P07900 2/20 0.40
POLB P06746 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL10951901 0.84 MEN1 (0.54) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL11000436 0.82 MEN1 (0.52) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10957363 0.81 MEN1 (0.50) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10996178 0.81 MEN1 (0.50) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10911920 0.80 MEN1 (0.50) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10506374 0.77 CYP19A1 (0.49) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL11199447 0.76 MEN1 (0.45) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL9202578 0.76 MEN1 (0.46) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL11359678 0.75 POLB (0.46) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL11365125 0.75 POLB (0.61) MEN1KMT2ATDP1CYP19A1HSP90AA1

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
EP-2272367-B1 Synergistic insecticidal mixtures BAYER CROPSCIENCE AG (DE) 2012-03-28 EP disclosed
EP-2272367-A1 Synergistic insecticidal mixtures Bayer CropScience AG (DE) 2011-01-12 EP disclosed
US-7049271-B2 Phenyl-substituted 2-enamino-ketonitriles BAYER AKTIENGESELLSCHAFT (DE) 2006-05-23 US disclosed
US-20060100106-A1 Phenyl-substituted 2-enamino-ketonitriles FISCHER REINER 2006-05-11 US disclosed
EP-1129071-B1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER CROPSCIENCE AG (DE) 2005-10-26 EP disclosed
US-20030220196-A1 Phenyl-substituted-2enamino-keto nitriles BAYER AKTIENGESELLSCHAFT (DE) 2003-11-27 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-20060100106-A1 Phenyl-substituted 2-enamino-ketonitriles AR, KCNK4, KCNA1 MEN1 4347/4885KMT2A 244/4885TDP1 2937/4885
US-20030220196-A1 Phenyl-substituted-2enamino-keto nitriles CYP1A1, CYP4X1, KCNK4 MEN1 4281/4885KMT2A 452/4885TDP1 2132/4885

“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.