SCHEMBL3604055

SCHEMBL3604055

COc1ccc(C=C(Br)Br)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP1A1 P04798 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP1B1 Q16678 4/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERN1 O75460 1/20 0.40
AHR P35869 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 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
SCHEMBL14422185 0.82 TRIM24 (0.43) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL28524970 0.80 TYR (0.62) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL7192327 0.80 CYP1A2 (0.63) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL4267088 0.79 ERN1 (0.43) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL26675937 0.79 ALDH1A1 (0.50) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL3319231 0.77 CYP1A2 (0.48) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL1236491 0.77 ALDH1A1 (0.66) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL16421968 0.76 ERN1 (0.44) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL28761484 0.76 CYP1A1 (0.47) TRIM24TYRTRIM33CYP1A1CYP1A2
SCHEMBL16093963 0.76 CYP1A2 (0.47) TRIM24TYRTRIM33CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807688-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-7807688-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-7807688-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-20090137604-A1 TRI-HETEROCYCLIC COMPOUNDS AND A PHARMACEUTICAL COMPRISING THEM AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US disclosed
US-20090137604-A1 TRI-HETEROCYCLIC COMPOUNDS AND A PHARMACEUTICAL COMPRISING THEM AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US disclosed
US-20090137604-A1 TRI-HETEROCYCLIC COMPOUNDS AND A PHARMACEUTICAL COMPRISING THEM AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US disclosed
US-7459459-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-12-02 US disclosed
US-7459459-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-12-02 US disclosed
US-7459459-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-12-02 US disclosed
US-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-06-08 US disclosed
US-7034153-B2 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-25 US disclosed
US-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1354884-A1 TRICYCLIC AND HETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-22 EP 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 (3 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-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient NR3C1, CRHR2, CRHR1 TRIM24 4010/4885TYR 3694/4885TRIM33 2633/4885
US-20090137604-A1 TRI-HETEROCYCLIC COMPOUNDS AND A PHARMACEUTICAL COMPRISING THEM AS AN ACTIVE INGREDIENT NR3C1, CRHR2, CRHR1 TRIM24 4010/4885TYR 3694/4885TRIM33 2633/4885
US-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient CRH, CRHR1, CRHR2 TRIM24 3542/4885TYR 1700/4885TRIM33 3631/4885

“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.