SCHEMBL13106989

SCHEMBL13106989

CCc1nn(C)c2cc(F)c(NCc3ccc(Cl)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
BRD4 O60885 1/20 0.38
KAT2B Q92831 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
PDE2A O00408 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
FABP4 P15090 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GHSR Q92847 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 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
SCHEMBL13106945 0.86 ADORA2A (0.42) TRPM5NPC1RAB9ABRD4KAT2B
SCHEMBL13106969 0.80 RAB9A (0.51) NPC1RAB9AGFERSMN1; SMN2KMT2A
SCHEMBL13106972 0.80 RAB9A (0.54) NPC1RAB9AGFERSMN1; SMN2KMT2A
SCHEMBL13106985 0.79 TP53 (0.40) TRPM5NPC1RAB9ABRD4KAT2B
SCHEMBL13106976 0.77 RAB9A (0.40) NPC1RAB9AGFERSMN1; SMN2KMT2A
SCHEMBL13106947 0.76 CHRM4 (0.43) TRPM5NPC1RAB9ABRD4KAT2B
SCHEMBL13122180 0.76 MAP2K4 (0.40) RAB9ABRD4SMN1; SMN2KMT2AFABP4
SCHEMBL13106389 0.74 BRD9 (0.40) GAAMAPK8MAPK9MAPK10
SCHEMBL13106979 0.71 RAB9A (0.42) NPC1RAB9AGFERSMN1; SMN2KMT2A
SCHEMBL13106377 0.71 MAPK8 (0.49) MAPK8MAPK9MAPK10

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-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 TRPM5 3902/4885NPC1 47/4885RAB9A 2353/4885

“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.