SCHEMBL12377300

SCHEMBL12377300

CC(C)n1c(NCc2cccc(Oc3ccccc3)c2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.46
MAPK14 Q16539 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FFAR1 O14842 3/20 0.41
PKM P14618 2/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
APP P05067 2/20 0.40
MITF O75030 1/20 0.40
TRPC5 Q9UL62 1/20 0.40

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
SCHEMBL12377299 0.89 MAPT (0.53) GAAMAPTTSHRMEN1KMT2A
SCHEMBL12377304 0.85 MAPT (0.49) GAAMAPTTSHRMEN1KMT2A
SCHEMBL12377314 0.84 MEN1 (0.40) MAPK14MEN1KMT2AFFAR1ALDH1A1
SCHEMBL12377324 0.83 MAPT (0.52) GAAMAPTTSHRMEN1KMT2A
SCHEMBL12377302 0.79 MAPT (0.49) GAAMAPTTSHRMEN1KMT2A
SCHEMBL12377282 0.78 MAPT (0.48) GAAMAPTTSHRMEN1KMT2A
SCHEMBL12412631 0.77 ALOX15 (0.42) MAPK14GAATSHRMEN1KMT2A
SCHEMBL12413898 0.76 NPC1 (0.53) GAATSHRKMT2ALMNAAPP
SCHEMBL14641676 0.73 NPC1 (0.49) GAAMAPTMEN1KMT2APKM
SCHEMBL12377291 0.71 MET (0.43) GAAMAPTTSHRMEN1KMT2A

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 MRGPRX1 467/4885MAPK14 1932/4885GAA 132/4885

“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.