SCHEMBL424554

SCHEMBL424554

[CH2]C(=O)N(C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LIPE Q05469 1/20 0.46
POLQ O75417 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 1/20 0.39
NAPRT Q6XQN6 1/20 0.39

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
SCHEMBL243741 0.82 POLB (0.51) CYP2D6CYP2C19LIPEPOLQPOLB
SCHEMBL762423 0.82 ALDH1A1 (0.50) CYP2D6CYP2C19LIPEPOLQPOLB
SCHEMBL761923 0.81 CYP2D6 (0.46) CYP2D6CYP2C19LIPEPOLQPOLB
SCHEMBL7368446 0.81 CYP2D6 (0.46) CYP2D6CYP2C19LIPEPOLQPOLB
Hydrochloric Acid SCHEMBL11804810 0.81 POLB (0.50) CYP2D6CYP2C19LIPEPOLQPOLB
SCHEMBL6644466 0.81 CYP2D6 (0.46) CYP2D6CYP2C19LIPEPOLQPOLB
SCHEMBL5641708 0.80 LIPE (0.43) CYP2D6CYP2C19LIPEPOLQPOLB
SCHEMBL16372563 0.80 ALDH1A1 (0.43) CYP2D6CYP2C19LIPEPOLQPOLB
Hydrochloric Acid SCHEMBL27945127 0.79 LIPE (0.45) CYP2D6CYP2C19LIPEPOLQPOLB
SCHEMBL19318513 0.78 POLB (0.59) CYP2D6CYP2C19LIPEPOLQPOLB

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-6150351-A ADMINISTERING AN EFFECTIVE AMOUNT OF THE CEPHEM COMPOUND TO A PATIENT SUFFERING FROM DISEASES CAUSED BY HELICOBACTER PYLORI FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-21 US disclosed
EP-0882052-A1 NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
WO-1997029111-A1 NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-14 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 CYP2D6 1478/4885CYP2C19 1316/4885LIPE 2534/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CYP2D6 1993/4885CYP2C19 1419/4885LIPE 3019/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CYP2D6 1993/4885CYP2C19 1419/4885LIPE 3019/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CYP2D6 983/4885CYP2C19 486/4885LIPE 1480/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP2D6 1478/4885CYP2C19 1316/4885LIPE 2534/4885

“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.