SCHEMBL13106923

SCHEMBL13106923

Cc1c2ccc(NCc3ccc(Cl)cc3)cc2nn1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 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
SCHEMBL14077552 0.90 RAB9A (0.56) RAB9ANPC1GFERSMN1; SMN2KDM4E
SCHEMBL13106958 0.85 RAB9A (0.54) RAB9ANPC1GFERSMN1; SMN2KDM4E
SCHEMBL13106926 0.79 RAB9A (0.56) RAB9ANPC1GFERSMN1; SMN2KDM4E
SCHEMBL13106947 0.79 CHRM4 (0.43) RAB9ANPC1GFERSMN1; SMN2HTT
SCHEMBL14077556 0.78 RAB9A (0.52) RAB9ANPC1GFERSMN1; SMN2ALDH1A1
SCHEMBL13106934 0.78 RAB9A (0.46) RAB9ANPC1GFERSMN1; SMN2KDM4E
SCHEMBL13106965 0.77 RAB9A (0.51) RAB9ANPC1GFERSMN1; SMN2KDM4E
SCHEMBL13106271 0.76 POLB (0.46) SMN1; SMN2KDM4EHSD17B10HTTMAPT
SCHEMBL13106912 0.76 MCHR1 (0.47) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL13106928 0.76 RAB9A (0.44) RAB9ANPC1GFERSMN1; SMN2KDM4E

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.