SCHEMBL427108

SCHEMBL427108

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc(OCc3ccccc3)cc1)n2CCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NR4A2 P43354 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 2/20 0.39
PRKDC P78527 1/20 0.39
MC4R P32245 1/20 0.38

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
SCHEMBL10252729 0.93 EGFR (0.41) EGFRALDH1A1MAPTEPHX2CNR1
Hydrochloric Acid SCHEMBL428399 0.92 EGFR (0.42) EGFRALDH1A1MAPTEPHX2CNR1
SCHEMBL10252715 0.91 HRH3 (0.41) EGFRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10252593 0.90 NPY1R (0.42) EGFRALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL425112 0.90 HRH3 (0.41) EGFRALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL424274 0.89 NPY1R (0.41) EGFRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2996596 0.89 MAPT (0.40) EGFRALDH1A1MAPTNPC1RAB9A
SCHEMBL5233008 0.88 ALDH1A1 (0.44) EGFRALDH1A1MAPTEPHX2CNR1
SCHEMBL428662 0.87 NR4A2 (0.44) NPC1RAB9ASMN1; SMN2NR4A2KMT2A
SCHEMBL424109 0.86 NR4A2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2NR4A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
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-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-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-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-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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US 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

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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI EGFR 3976/4885ALDH1A1 596/4885MAPT 4033/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI EGFR 3976/4885ALDH1A1 596/4885MAPT 4033/4885

“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.