SCHEMBL13106972

SCHEMBL13106972

CCc1nn(C)c2ccc(NCc3ccc(Cl)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.54
NPC1 O15118 10/20 0.54
GFER P55789 1/20 0.54
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 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
CNR2 P34972 1/20 0.43
MAPT P10636 2/20 0.41

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
SCHEMBL13106969 0.90 RAB9A (0.51) RAB9ANPC1GFERGAASMN1; SMN2
SCHEMBL14077560 0.84 RAB9A (0.55) RAB9ANPC1GFERGAASMN1; SMN2
SCHEMBL13106979 0.81 RAB9A (0.42) RAB9ANPC1GFERSMN1; SMN2KDM4E
SCHEMBL13106989 0.80 TRPM5 (0.39) RAB9ANPC1GFERGAASMN1; SMN2
SCHEMBL13106976 0.80 RAB9A (0.40) RAB9ANPC1GFERSMN1; SMN2HTT
SCHEMBL13106420 0.79 MAPK8 (0.56) CYP1A2CYP2C9CYP2C19MAPTMAPK8
SCHEMBL13106965 0.78 RAB9A (0.51) RAB9ANPC1GFERGAASMN1; SMN2
SCHEMBL13106926 0.77 RAB9A (0.56) RAB9ANPC1GFERGAASMN1; SMN2
SCHEMBL13106958 0.75 RAB9A (0.54) RAB9ANPC1GFERGAASMN1; SMN2
SCHEMBL13122171 0.74 HAO1 (0.47) RAB9ANPC1GFERSMN1; SMN2LMNA

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.