SCHEMBL20328554

SCHEMBL20328554

CCOC(=O)c1cc2cnc(C)nc2c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
HPGD P15428 4/20 0.47
TSHR P16473 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 5/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.45

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
SCHEMBL18309312 0.91 FOS (0.49) KDM4EHPGDTSHRCASP1CASP7
SCHEMBL20328556 0.87 CYP2C9 (0.40) ALDH1A1CYP2C9CYP2C19L3MBTL1POLB
SCHEMBL17596186 0.85 ALDH1A1 (0.46) KDM4EHPGDTSHRCASP1CASP7
SCHEMBL17596508 0.84 KDM4E (0.46) KDM4EHPGDTSHRCASP1CASP7
SCHEMBL20328550 0.74 POLB (0.44) LMNAPOLB
SCHEMBL18309310 0.74 CYP2C9 (0.41) ALDH1A1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL20328545 0.74 AXL (0.43) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1965857 0.71 ALDH1A1 (0.78) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL3788631 0.71 ALDH1A1 (0.49) KDM4EHPGDTSHRCASP1CASP7
SCHEMBL1124253 0.70 NR1H2 (0.68) HSD17B10MAPTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177190-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 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 (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-20180177190-A1 HERBICIDAL COMPOUNDS DDT, CYP1B1, ATP1B1 KDM4E 2198/4885HPGD 2779/4885TSHR 1618/4885

“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.