SCHEMBL6405035

SCHEMBL6405035

CCn1c(S)nnc1COc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 3/20 0.53
RAB9A P51151 3/20 0.53
CYP2D6 P10635 1/20 0.53
ADORA2A P29274 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.44
ATM Q13315 1/20 0.43
NLRP3 Q96P20 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MPI P34949 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL10012011 0.86 TSHR (0.52) MAPTNPC1CYP1A2CYP3A4CYP2C19
SCHEMBL6409749 0.79 MEN1 (0.59) MAPTRAB9ALMNAALDH1A1POLB
SCHEMBL6410076 0.78 KMT2A (0.48) MAPTNPC1RAB9APOLBTSHR
SCHEMBL12768254 0.75 ALDH1A1 (0.58) LMNAALDH1A1PKMTSHRSMN1; SMN2
SCHEMBL1543958 0.75 ALDH1A1 (0.52) NPC1CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL6404027 0.74 L3MBTL1 (0.60) MAPTLMNAALDH1A1POLBPKM
SCHEMBL6403796 0.73 TSHR (0.57) NPC1RAB9AALDH1A1POLBKDM4E
SCHEMBL6405892 0.72 MAPT (0.60) MAPTNPC1CYP1A2LMNAALDH1A1
SCHEMBL1544472 0.71 ALDH1A1 (0.68) MAPTNPC1CYP1A2CYP3A4CYP2C19
SCHEMBL11384854 0.69 TLR8 (0.44) MAPTCYP1A2CYP3A4CYP2C19CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT MAPT 2111/4885NPC1 2070/4885CYP1A2 93/4885

“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.