SCHEMBL6493253

SCHEMBL6493253

c1ccc2c(c1)CCc1cc(NCc3ccsc3)ccc1N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
NAMPT P43490 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
KIF11 P52732 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B3 P37058 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDH1 O75874 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35

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
SCHEMBL6495200 0.84 HSD17B3 (0.48) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL6492117 0.79 INSR (0.49) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL6492085 0.78 KIF11 (0.46) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL6481769 0.77 MAPT (0.50) NPC1NAMPTMEN1KMT2AMAPT
SCHEMBL6492238 0.77 MAPT (0.51) NPC1MEN1KMT2AMAPTKDM4E
SCHEMBL6482660 0.76 NOX1 (0.46) NPC1MEN1KMT2AMAPTKDM4E
SCHEMBL6482261 0.75 NPC1 (0.48) NPC1NAMPTMEN1KMT2AMAPT
SCHEMBL6482145 0.75 ADRA2A (0.56) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL6482635 0.75 MAPT (0.63) NPC1NAMPTMEN1KMT2AMAPT
SCHEMBL6493295 0.74 MEN1 (0.51) NPC1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 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 (2 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 NPC1 1256/4885NAMPT 1829/4885MEN1 3995/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 NPC1 2036/4885NAMPT 1644/4885MEN1 3464/4885

“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.