SCHEMBL12413898

SCHEMBL12413898

Cn1c(NCc2ccccc2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.52
ALOX15 P16050 1/20 0.52
CNR2 P34972 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TRPC5 Q9UL62 2/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MET P08581 1/20 0.45
SLC2A1 P11166 1/20 0.44
APP P05067 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL12412024 0.93 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL12412025 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14641676 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL12412028 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL12377299 0.86 MAPT (0.53) KMT2AALOX15CNR2TRPC5LMNA
SCHEMBL12413900 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL12377324 0.80 MAPT (0.52) KMT2AALOX15TRPC5LMNATP53
SCHEMBL5226399 0.80 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14521451 0.77 TRPC5 (0.50) SMN1; SMN2MAPK1CNR2TRPC5TP53
SCHEMBL12377300 0.76 MRGPRX1 (0.46) KMT2ATRPC5LMNAGAAAPP

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 NPC1 1617/4885RAB9A 1604/4885SMN1; SMN2 4524/4885

“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.