SCHEMBL12377280

SCHEMBL12377280

CC(C)n1c(NCc2ccc(C(C)(C)C)cc2)nc2cc(C(F)(F)F)cc(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
P2RX7 Q99572 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
CDK1 P06493 1/20 0.37
KCNH2 Q12809 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
P2RX3 P56373 1/20 0.37
PDE2A O00408 1/20 0.36
PDE9A O76083 1/20 0.36
CNR1 P21554 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MDM2 Q00987 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL12377322 0.91 KMT2A (0.44) GAAMAPTTSHRKCNH2TMEM97
SCHEMBL12377291 0.89 MET (0.43) GAAMAPTTSHRP2RX7TRPC5
SCHEMBL12412030 0.88 NPC1 (0.44) GAAMAPTP2RX7TRPC5PDE2A
SCHEMBL12377283 0.88 MAPT (0.42) GAAMAPTTSHRP2RX7MDM2
SCHEMBL12377284 0.85 MAPT (0.40) GAAMAPTTSHRP2RX7TRPC5
SCHEMBL12377302 0.82 MAPT (0.49) GAAMAPTTSHRTRPC5CDK1
SCHEMBL12377314 0.79 MEN1 (0.40) P2RX7POLBKMT2ASMN1; SMN2
SCHEMBL12412022 0.79 NPC1 (0.55) GAAMAPTPDE2ACNR1TP53
SCHEMBL12377296 0.78 EGFR (0.48) MAPTTSHRP2RX3PDE2A
SCHEMBL12377282 0.77 MAPT (0.48) GAAMAPTTSHRTRPC5KCNH2

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 GAA 132/4885MAPT 4853/4885TSHR 3443/4885

“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.