SCHEMBL6448680

SCHEMBL6448680

Cc1cccnc1-c1nc(-c2c(O)ccc3ccccc23)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
SLC6A2 P23975 1/20 0.40
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
OPRK1 P41145 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
SALL4 Q9UJQ4 8/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
HCRTR1 O43613 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6449566 0.83 ADORA3 (0.37) HTTSLC6A2KMT2AMAPTLMNA
SCHEMBL6452239 0.83 MAPT (0.47) HTTKMT2AMAPTLMNAL3MBTL1
SCHEMBL6452679 0.79 MAPT (0.43) HTTKMT2AMAPTLMNAL3MBTL1
SCHEMBL6453045 0.77 SMN1; SMN2 (0.40) HTTSLC6A2KMT2AMAPTLMNA
SCHEMBL6454319 0.77 METAP2 (0.38) HTTSLC6A2KMT2AMAPTLMNA
SCHEMBL6453914 0.76 HSD17B2 (0.40) HTTSLC6A2KMT2AMAPTMEN1
SCHEMBL6454166 0.74 CYP19A1 (0.42) HTTSLC6A2SMN1; SMN2ALDH1A1SLC22A12
SCHEMBL6456605 0.74 CASP6 (0.38) HTTSLC6A2HCRTR1ALDH1A1NPC1
SCHEMBL6449813 0.74 KDM4E (0.41) HTTSLC6A2KMT2AMAPTLMNA
SCHEMBL6449658 0.72 CYP19A1 (0.46) GAAKDM4EALDH1A1NPC1HPGD

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC HTT 1540/4885SLC6A2 4572/4885KMT2A 3600/4885

“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.