SCHEMBL771438

SCHEMBL771438

CCOC(=O)Cn1c(Br)c(-c2ccccc2)c2ccc(C(=O)OCC)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 4/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL773608 0.82 GABRA2 (0.41) CYP1A2NPSR1POLBSMN1; SMN2LMNA
SCHEMBL5442599 0.81 ALDH1A1 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL771789 0.76 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19POLBSMN1; SMN2
SCHEMBL772140 0.71 LMNA (0.43) NPSR1SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL5442286 0.69 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL28497326 0.68 SMN1; SMN2 (0.53) CYP1A2NPSR1SMN1; SMN2LMNAKDM4E
SCHEMBL30765772 0.67 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19LMNAKDM4E
SCHEMBL22666570 0.67 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19NPSR1POLB
SCHEMBL29120043 0.66 CYP1A2 (0.58) CYP1A2NPSR1POLBSMN1; SMN2LMNA
SCHEMBL7296961 0.65 MEN1 (0.66) CYP1A2CYP2C9CYP2C19NPSR1POLB

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 CYP1A2 1549/4885CYP2C9 976/4885CYP2C19 1316/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP1A2 1549/4885CYP2C9 976/4885CYP2C19 1316/4885

“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.