SCHEMBL427047

SCHEMBL427047

[CH2]C(=O)N(C)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNA5 P22460 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CA2 P00918 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD11B1 P28845 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
NTRK1 P04629 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPRA P18433 1/20 0.44

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
SCHEMBL6204342 0.84 KDM4E (0.52) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL427048 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL6447880 0.83 NTRK1 (0.47) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL424284 0.83 HIF1A (0.58) SMN1; SMN2MAPTTDP1ALDH1A1CYP1A2
SCHEMBL7976763 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL7976764 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL12313339 0.81 NTRK1 (0.51) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL24316287 0.80 CYP1A2 (0.52) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL676887 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL12265795 0.80 POLB (0.51) SMN1; SMN2MAPTLIN28ATDP1KCNA5

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 12 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
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 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 SMN1; SMN2 4306/4885MAPT 3389/4885LIN28A 3544/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI SMN1; SMN2 4383/4885MAPT 4033/4885LIN28A 2496/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI SMN1; SMN2 4383/4885MAPT 4033/4885LIN28A 2496/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 SMN1; SMN2 4399/4885MAPT 3246/4885LIN28A 3537/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885MAPT 3389/4885LIN28A 3544/4885

“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.