SCHEMBL427250

SCHEMBL427250

[CH2]C(=O)NCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.54
ADRA1A P35348 1/20 0.50
LMNA P02545 3/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
PLA2G4A P47712 1/20 0.46
EPHX2 P34913 2/20 0.44
FABP4 P15090 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
PLA2G2A P14555 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
SCHEMBL429295 0.84
SCHEMBL31475480 0.79 PRMT1 (0.81) PRMT1ADRA1ALMNASLC22A6TSHR
SCHEMBL320940 0.79 PRMT1 (0.58) PRMT1ADRA1ALMNASLC22A6ATM
SCHEMBL2806091 0.77 ATM (0.57) PRMT1ADRA1ALMNASLC22A6ATM
SCHEMBL9717419 0.77 ECE1 (0.60) PRMT1ADRA1ALMNASLC22A6ATM
SCHEMBL10403634 0.77 PRMT1 (0.56) PRMT1ADRA1ALMNASLC22A6ATM
SCHEMBL9717385 0.75 TSHR (0.59) PRMT1ADRA1ALMNASLC22A6ATM
SCHEMBL285421 0.75 ADRA1A (0.83) PRMT1ADRA1ALMNASLC22A6ATM
SCHEMBL2811862 0.75 PRMT1 (0.60) PRMT1ADRA1ALMNAATMTSHR
SCHEMBL10002699 0.75 PRMT1 (0.54) PRMT1ADRA1ALMNASLC22A6ATM

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 15 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US 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
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 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 (5 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 PRMT1 2586/4885ADRA1A 4721/4885LMNA 4323/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PRMT1 1590/4885ADRA1A 4621/4885LMNA 4306/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PRMT1 1590/4885ADRA1A 4621/4885LMNA 4306/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 PRMT1 1877/4885ADRA1A 3399/4885LMNA 4828/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRMT1 2586/4885ADRA1A 4721/4885LMNA 4323/4885

“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.