SCHEMBL6482452

SCHEMBL6482452

c1ccc2c(c1)Oc1cc(NCc3ccc4c(c3)OCCO4)ccc1S2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
GAA P10253 5/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
SRC P12931 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HBB P68871 1/20 0.45

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
SCHEMBL6491307 0.82 PTPN1 (0.46) GAAALDH1A1HTTMAOAMAOB
SCHEMBL6494915 0.81 MAPT (0.47) MAPTGAARAB9AALDH1A1KDM4E
SCHEMBL6494125 0.77 MAPT (0.51) MAPTGAARAB9AALDH1A1KDM4E
SCHEMBL6482993 0.77 TRPV1 (0.43) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6490349 0.77 NPC1 (0.46) MAPTGAARAB9AALDH1A1KDM4E
SCHEMBL5333927 0.76 GAA (0.72) MAPTGAARAB9AALDH1A1KDM4E
SCHEMBL6481531 0.75 MAPT (0.52) MAPTGAARAB9AALDH1A1KDM4E
SCHEMBL6482832 0.75 MAPT (0.43) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6484335 0.75 HIF1A (0.48) MAPTGAARAB9AALDH1A1KDM4E
SCHEMBL6493435 0.75 ALDH1A1 (0.57) MAPTGAARAB9AALDH1A1KDM4E

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 MAPT 2337/4885GAA 1524/4885RAB9A 4535/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MAPT 3500/4885GAA 1297/4885RAB9A 3961/4885

“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.