SCHEMBL772327

SCHEMBL772327

CCOC(=O)c1ccc2c(-c3ccccc3)cn(CCOCc3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.45
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.40
DGAT1 O75907 1/20 0.39
CYP1A2 P05177 2/20 0.39
ADORA2A P29274 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 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
SCHEMBL772326 0.82 HRH2 (0.41) TSHRMAPK1
SCHEMBL771789 0.81 ALDH1A1 (0.47) F2RL3GABRA2GABRB2TSHRALDH1A1
SCHEMBL773608 0.79 GABRA2 (0.41) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL772337 0.75 LTA4H (0.39) MEN1KMT2A
SCHEMBL773607 0.72 ADORA3 (0.39) GABRA2GABRB2MAPK1ALDH1A1LMNA
SCHEMBL21315725 0.69 SMN1; SMN2 (0.53) GABRA2MAPK1ALDH1A1SMN1; SMN2GAA
SCHEMBL16415457 0.69 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29220666 0.68 CRHBP (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28923869 0.68 SMN1; SMN2 (0.46) GABRA2TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6494398 0.67 GABRA2 (0.71) GABRA2GABRB2ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 F2RL3 3597/4885GABRA2 3679/4885GABRB2 3658/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 F2RL3 3597/4885GABRA2 3679/4885GABRB2 3658/4885

“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.