SCHEMBL13106969

SCHEMBL13106969

CCc1nn(C)c2cc(NCc3ccc(Cl)cc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
GFER P55789 1/20 0.51
GRM4 Q14833 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
GHSR Q92847 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 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
SCHEMBL13106972 0.90 RAB9A (0.54) RAB9ANPC1GFERKMT2AMEN1
SCHEMBL13106926 0.85 RAB9A (0.56) RAB9ANPC1GFERGRM4KMT2A
SCHEMBL13106989 0.80 TRPM5 (0.39) RAB9ANPC1GFERKMT2AGHSR
SCHEMBL13106377 0.79 MAPK8 (0.49) GRM4CYP1A2
SCHEMBL13106979 0.79 RAB9A (0.42) RAB9ANPC1GFERKMT2AMEN1
SCHEMBL13106958 0.78 RAB9A (0.54) RAB9ANPC1GFERKMT2AMEN1
SCHEMBL13106976 0.77 RAB9A (0.40) RAB9ANPC1GFERKMT2AMEN1
SCHEMBL14077560 0.76 RAB9A (0.55) RAB9ANPC1GFERKMT2AMEN1
SCHEMBL13106965 0.75 RAB9A (0.51) RAB9ANPC1GFERKMT2AMEN1
SCHEMBL13106102 0.75 RAB9A (0.60) RAB9ANPC1GFERGRM4KMT2A

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 47/4885GFER 3731/4885

“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.