SCHEMBL6491307

SCHEMBL6491307

c1ccc(CNc2ccc3c(c2)Oc2ccccc2S3)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.42
ELANE P08246 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAOB P27338 1/20 0.40
DHFR P00374 1/20 0.39
HDAC1 Q13547 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6493435 0.86 ALDH1A1 (0.57) HTTALDH1A1CYP1A2CYP2D6GAA
SCHEMBL6482993 0.86 TRPV1 (0.43) PTPN1PTPN11HTTMAOBCA1
SCHEMBL6494125 0.86 MAPT (0.51) FFAR1CA12CA1CA2CA9
SCHEMBL6490349 0.85 NPC1 (0.46) PTPN1PTPN11HTTALDH1A1GAA
SCHEMBL6481531 0.84 MAPT (0.52) MAOBALDH1A1GAA
SCHEMBL6484335 0.83 HIF1A (0.48) DHFRALDH1A1GAA
SCHEMBL6482452 0.82 MAPT (0.52) HTTMAOAMAOBALDH1A1CYP1A2
SCHEMBL6491982 0.82 MAPT (0.43) HTTMAOBCA12CA1CA2
SCHEMBL6495422 0.82 UTS2R (0.40) HTTCA2ALDH1A1CYP1A2CYP2D6
SCHEMBL6491909 0.82 FFAR1 (0.44) FFAR1MAOBCYP1A2CYP2D6GAA

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 9 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
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 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 (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 PTPN1 3460/4885PTPN11 2877/4885HTT 4405/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 PTPN1 3141/4885PTPN11 2772/4885HTT 3494/4885

“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.