SCHEMBL6493435

SCHEMBL6493435

c1cncc(CNc2ccc3c(c2)Oc2ccccc2S3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 3/20 0.57
GAA P10253 1/20 0.57
LTA4H P09960 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PABPC1 P11940 1/20 0.52
CYP3A4 P08684 9/20 0.48
CYP2C9 P11712 9/20 0.48
CYP2C19 P33261 9/20 0.48
CYP1A2 P05177 8/20 0.48
NAMPT P43490 1/20 0.48
CYP2D6 P10635 8/20 0.46
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 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 0.86 PTPN1 (0.46) ALDH1A1GAACYP1A2CYP2D6HTT
SCHEMBL6490349 0.78 NPC1 (0.46) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6495923 0.78 PTPN11 (0.52) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6481801 0.76 MAOA (0.39) MAPTKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL6481531 0.76 MAPT (0.52) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6494125 0.76 MAPT (0.51) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6484335 0.76 HIF1A (0.48) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6482993 0.76 TRPV1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6482452 0.75 MAPT (0.52) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6775284 0.75 KDM4E (0.48) ALDH1A1MAPTKDM4EGAAMEN1

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 ALDH1A1 4486/4885MAPT 2337/4885KDM4E 1279/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 ALDH1A1 4111/4885MAPT 3500/4885KDM4E 1476/4885

“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.