SCHEMBL6480205

SCHEMBL6480205

NC(c1ccc2oc3ccc(F)cc3c2c1)c1ccc2ccccc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TNKS O95271 1/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR1 P21453 1/20 0.33
PTGIR P43119 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
AR P10275 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL6496811 0.89 MAPT (0.42) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6765610 0.82 CYP1A2 (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6495063 0.79 MAPT (0.35) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6775758 0.76 MAPT (0.37) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6492261 0.75 CCNC (0.36) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6485988 0.72 DPP4 (0.38) ALDH1A1KDM4EGAATNKSAR
SCHEMBL6495849 0.72 MAPT (0.37) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6482433 0.71 TNKS (0.35) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6482495 0.71 KCNA5 (0.38) SMN1; SMN2ALDH1A1KDM4ENFKB1NFKB2
SCHEMBL11732619 0.70 S1PR3 (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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 SMN1; SMN2 1930/4885ALDH1A1 4486/4885KDM4E 1279/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 SMN1; SMN2 1358/4885ALDH1A1 4111/4885KDM4E 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.