SCHEMBL12377322

SCHEMBL12377322

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX3 P56373 3/20 0.43
CNR1 P21554 5/20 0.41
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
FABP4 P15090 1/20 0.38
CNR2 P34972 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38

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
SCHEMBL12377280 0.91 GAA (0.39) KMT2ANPC1RAB9ASMN1; SMN2P2RX3
SCHEMBL12377291 0.91 MET (0.43) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12377283 0.89 MAPT (0.42) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12412022 0.87 NPC1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2CNR1
SCHEMBL12377284 0.87 MAPT (0.40) KMT2ANPC1RAB9ASMN1; SMN2P2RX3
SCHEMBL12377282 0.83 MAPT (0.48) KMT2ANPC1RAB9ASMN1; SMN2P2RX3
SCHEMBL12377281 0.83 P2RX3 (0.44) SMN1; SMN2P2RX3CNR1MAPT
SCHEMBL12377314 0.81 MEN1 (0.40) KMT2ASMN1; SMN2MEN1HTT
SCHEMBL12412030 0.79 NPC1 (0.44) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12413900 0.78 NPC1 (0.49) KMT2ANPC1RAB9ASMN1; SMN2MAPT

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 KMT2A 4563/4885NPC1 1617/4885RAB9A 1604/4885

“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.