SCHEMBL6449566

SCHEMBL6449566

Cc1cccnc1-c1nc(-c2ccc3ccccc3c2O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
NLRP3 Q96P20 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TDP2 O95551 1/20 0.34

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
SCHEMBL6448680 0.83 HTT (0.40) ADORA3NPC1RAB9ANR1H2NR1H3
SCHEMBL6453712 0.83 KDM4E (0.47) HTR2AHTR2CNPC1RAB9AHTT
SCHEMBL6452679 0.81 MAPT (0.43) NPC1RAB9ANR1H2NR1H3HTT
SCHEMBL6452417 0.78 KDM4E (0.39) NPC1RAB9AHTTKDM4ELMNA
SCHEMBL6453914 0.76 HSD17B2 (0.40) NPC1RAB9AHTTMAPTKMT2A
SCHEMBL6451328 0.75 IDH1 (0.47) NPC1RAB9AHTTKDM4EMAPT
SCHEMBL6456605 0.74 CASP6 (0.38) NPC1HTTSLC6A2ALDH1A1SLC22A12
SCHEMBL6449813 0.74 KDM4E (0.41) NPC1RAB9AHTTKDM4ELMNA
SCHEMBL6454166 0.74 CYP19A1 (0.42) NR1H2NR1H3HTTSMN1; SMN2SLC6A2
SCHEMBL6449876 0.73 CYP3A4 (0.44) NPC1RAB9AKDM4EL3MBTL1LMNA

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 ADORA3 1131/4885NLRP3 1571/4885HTR2A 3852/4885

“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.