SCHEMBL12377327

SCHEMBL12377327

CC(C)n1c(O)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTR1D P28221 2/20 0.39
HTR2C P28335 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

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
SCHEMBL12377318 0.83 CACNA1D (0.50) ALDH1A1PKMKDM4EKMT2AMEN1
SCHEMBL8044540 0.82 ALDH1A1 (0.47) ALDH1A1PKMKDM4EKMT2AMEN1
SCHEMBL2711203 0.80 PKM (0.49) PKMKDM4EKMT2AMEN1HTR1D
SCHEMBL13071405 0.80 CYP11B1 (0.41) KDM4EKMT2AHTR2CHTR3EHTR3B
SCHEMBL13071409 0.78 MEN1 (0.45) KDM4EKMT2AMEN1HTR2CCYP1A2
SCHEMBL12377278 0.77 HSD17B10 (0.52) ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL355696 0.76 USP2 (0.47) ALDH1A1PKMKDM4EKMT2AMEN1
SCHEMBL10239606 0.75 KMT2A (0.51) ALDH1A1PKMKDM4EKMT2AMEN1
SCHEMBL12377307 0.74 PDE2A (0.38) ALDH1A1KDM4EKMT2APDE2A
SCHEMBL5087662 0.73 NPC1 (0.51) ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 ALDH1A1 1301/4885PKM 4435/4885KDM4E 3876/4885

“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.