SCHEMBL12413902

SCHEMBL12413902

Cn1c(Nc2ccc(-c3ccccc3)cc2)nc2cc(C(F)(F)F)cc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRAF P15056 1/20 0.40
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
TP53 P04637 1/20 0.38
ACP1 P24666 1/20 0.38
MET P08581 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CTSC P53634 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 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
SCHEMBL12413879 0.89 PTGES (0.46) PTGESBRAFGAACYP2D6MET
SCHEMBL12413884 0.88 PTGES (0.42) PTGESMAPTSMN1; SMN2BRAFGAA
SCHEMBL12377297 0.87 HSD17B10 (0.43) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL12412020 0.84 NPC1 (0.48) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL12413883 0.81 HDAC6 (0.49) NPC1RAB9ABRAFGAAABCG2
SCHEMBL12413900 0.79 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL12413913 0.76 SLC1A3 (0.39) PTGESGAACYP2D6
SCHEMBL12377283 0.75 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL12377296 0.75 EGFR (0.48) PTGESMAPTBRAF
SCHEMBL12377281 0.74 P2RX3 (0.44) MAPTSMN1; SMN2BRAFTP53

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 PTGES 1486/4885MAPT 4853/4885NPC1 1617/4885

“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.