SCHEMBL423599

SCHEMBL423599

[CH2]c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.69
HPGD P15428 6/20 0.65
AKR1C3 P42330 1/20 0.61
TSHR P16473 1/20 0.60
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
POLB P06746 1/20 0.58
DNMT1 P26358 1/20 0.58
PTPN7 P35236 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PKM P14618 1/20 0.58
MLYCD O95822 1/20 0.58
EPHX2 P34913 1/20 0.55

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
SCHEMBL10720943 0.90 PHGDH (0.81) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL28296651 0.85 HPGD (0.86) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL94754 0.85 L3MBTL3 (0.79) ALDH1A1L3MBTL1KDM4EEPHX2
SCHEMBL7859869 0.84 PHGDH (0.63) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL2199279 0.83 PHGDH (0.71) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL4696938 0.83 HPGD (0.72) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL2538732 0.82 HPGD (0.76) HPGDTSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2999369 0.81 PHGDH (0.69) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL103440 0.81 PHGDH (0.69) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL9674034 0.81 PHGDH (0.69) PHGDHHPGDAKR1C3TSHRALDH1A1

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 14 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-6818638-B2 LACTONE RING IS MODIFIED; PREVENTING OR TREATING DISORDERS MEDIATED BY LFA-1/ ICAM-1 INTERACTIONS. NOVARTIS AG (CH) 2004-11-16 US disclosed
EP-1154988-A1 MEVINOLIN DERIVATIVES Novartis AG (CH) 2001-11-21 EP disclosed
WO-2000048989-A1 MEVINOLIN DERIVATIVES NOVARTIS AG (CH) 2000-08-24 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 PHGDH 2971/4885HPGD 2752/4885AKR1C3 2387/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PHGDH 2561/4885HPGD 2210/4885AKR1C3 2102/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PHGDH 2561/4885HPGD 2210/4885AKR1C3 2102/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 PHGDH 2569/4885HPGD 1292/4885AKR1C3 2216/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PHGDH 2971/4885HPGD 2752/4885AKR1C3 2387/4885

“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.