SCHEMBL2565987

SCHEMBL2565987

O=C1C=C(NC(Cc2ccc(Cl)nc2)C(F)F)CO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MDM2 Q00987 1/20 0.31
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL16702912 0.87 DRD2 (0.31)
SCHEMBL434808 0.85 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL17184104 0.80 MEN1 (0.33) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL230414 0.76 KDM4E (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL15226755 0.75 MAPT (0.35) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL163147 0.74 GAA (0.38) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL162659 0.71 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL31095442 0.71 PARP1 (0.32)
SCHEMBL2890469 0.69 CHRNA1 (0.32) ALDH1A1KDM1A
SCHEMBL123283 0.67 KDM1A (0.32) ALDH1A1MEN1KMT2AATMKDM1A

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
WO-2011134964-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-11-03 WO claimed
EP-2382865-A1 Synergistic active agent compounds Bayer CropScience AG (DE) 2011-11-02 EP claimed
US-20170142970-A1 BINARY FUNGICIDAL MIXTURES BAYER CROPSCIENCE AG 2017-05-25 US disclosed
WO-2011134964-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-11-03 WO disclosed
EP-2382865-A1 Synergistic active agent compounds Bayer CropScience AG (DE) 2011-11-02 EP 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-20170142970-A1 BINARY FUNGICIDAL MIXTURES BROX, CYP4X1, CYP51A1 ALDH1A1 1833/4885MEN1 1245/4885KMT2A 1940/4885

“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.