SCHEMBL771789

SCHEMBL771789

CCOC(=O)Cn1cc(-c2ccccc2)c2ccc(C(=O)OCC)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
F2RL3 Q96RI0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL772327 0.81 F2RL3 (0.45) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL5447291 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2GAANPC1
SCHEMBL771438 0.76 CYP1A2 (0.51) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL771788 0.75 NPC1 (0.39) ALDH1A1KDM4ECYP1A2SMN1; SMN2NPC1
SCHEMBL2833745 0.72 CYP1A2 (0.61) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2049182 0.69 ALDH1A1 (0.65) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL6494398 0.69 GABRA2 (0.71) ALDH1A1KDM4ECYP1A2GABRA2GABRB2
SCHEMBL1369379 0.68 GABRA2 (0.52) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL18137279 0.68 GABRA2 (0.52) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2837678 0.68 CYP1A2 (0.55) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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 ALDH1A1 750/4885KDM4E 2725/4885CYP1A2 1549/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885KDM4E 2725/4885CYP1A2 1549/4885

“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.