SCHEMBL6768626

SCHEMBL6768626

COc1cc2c(cc1NC(C)C1CC1)oc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
KDM4E B2RXH2 10/20 0.56
GAA P10253 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPSR1 Q6W5P4 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
ATM Q13315 1/20 0.56
KMT2A Q03164 9/20 0.55
MEN1 O00255 8/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 16/20 0.54
HPGD P15428 12/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
SCHEMBL6493235 0.85 KMT2A (0.61) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL6492752 0.81 KMT2A (0.56) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL6483047 0.80 KMT2A (0.57) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL6496641 0.78 MEN1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2RAB9A
SCHEMBL8923080 0.77 KMT2A (0.64) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL6491587 0.77 MAPT (0.55) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL6493482 0.76 MAPT (0.60) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL6490197 0.76 MAPT (0.60) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL13390949 0.75 MAPT (0.76) ALDH1A1KDM4EGAASMN1; SMN2NPSR1
SCHEMBL7495432 0.74 ALDH1A1 (0.58) ALDH1A1KDM4EGAASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 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-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 (1 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 4486/4885KDM4E 1279/4885GAA 1524/4885

“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.