SCHEMBL13106940

SCHEMBL13106940

Cc1nn(C)c2c(Cl)cc(NCc3ccc(Cl)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 3/20 0.43
GALR3 O60755 1/20 0.43
LMNA P02545 1/20 0.43
NR2F2 P24468 1/20 0.43
GFER P55789 1/20 0.43
ADRA2A P08913 2/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.40
PDE2A O00408 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 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
SCHEMBL13106930 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AGALR3
SCHEMBL13106979 0.85 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KMT2AGFER
SCHEMBL13106934 0.80 RAB9A (0.46) RAB9ANPC1SMN1; SMN2KMT2AGALR3
SCHEMBL13106926 0.78 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2AGALR3
SCHEMBL13106991 0.75 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KMT2AGFER
SCHEMBL13106976 0.73 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KMT2AGFER
SCHEMBL14077552 0.73 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2AGFER
SCHEMBL13106928 0.72 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AGALR3
SCHEMBL13106312 0.72 ADORA2A (0.44) SMN1; SMN2KMT2AGALR3NR2F2MAPT
SCHEMBL13106923 0.70 RAB9A (0.60) RAB9ANPC1SMN1; SMN2KMT2ALMNA

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 RAB9A 2353/4885NPC1 47/4885SMN1; SMN2 4604/4885

“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.