SCHEMBL12377321

SCHEMBL12377321

CC(C)n1c(N)nc2cc(C(F)(F)F)cc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
GABRB3 P28472 11/20 0.37
GABRA2 P47869 9/20 0.37
GABRB2 P47870 9/20 0.37
GABRP O00591 7/20 0.37
GABRD O14764 7/20 0.37
GABRA1 P14867 7/20 0.37
GABRB1 P18505 7/20 0.37
GABRG2 P18507 7/20 0.37
GABRA5 P31644 7/20 0.37
GABRA3 P34903 7/20 0.37
GABRA4 P48169 7/20 0.37
GABRE P78334 7/20 0.37
GABRA6 Q16445 7/20 0.37
GABRG1 Q8N1C3 7/20 0.37
GABRG3 Q99928 7/20 0.37
GABRQ Q9UN88 7/20 0.37

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
SCHEMBL12377307 0.83 PDE2A (0.38) GABRB3GABRA2GABRB2GLP1RPDE2A
SCHEMBL12377328 0.83 GLP1R (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL12377296 0.77 EGFR (0.48) PDE2AP2RX3
SCHEMBL12377281 0.76 P2RX3 (0.44) P2RX3
SCHEMBL12377318 0.75 CACNA1D (0.50) CYP2D6CYP2C19CYP2C9CYP1A2CYP3A4
SCHEMBL12377291 0.73 MET (0.43)
SCHEMBL12377298 0.73 GABRA2 (0.39) GABRB3GABRA2GABRB2
SCHEMBL12377322 0.73 KMT2A (0.44) KCNH2P2RX3
SCHEMBL11520254 0.72 CSNK1E (0.38) CASR
SCHEMBL12377297 0.72 HSD17B10 (0.43) GABRB3GABRA2GABRB2GABRPGABRD

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 4 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-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
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 CYP2D6 3365/4885CYP2C19 3858/4885CYP2C9 4203/4885

“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.