SCHEMBL427109

SCHEMBL427109

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(OCc3ccccc3)cc1)n2CCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 1/20 0.45
MCHR1 Q99705 1/20 0.44
NR4A2 P43354 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 3/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PRKDC P78527 1/20 0.42
TACR2 P21452 2/20 0.42
MC4R P32245 1/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
DGAT1 O75907 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
Hydrochloric Acid SCHEMBL428400 0.91 EGFR (0.46) EGFRMAPTALDH1A1EPHX2MCHR1
SCHEMBL2996607 0.88 ALDH1A1 (0.43) EGFRMAPTALDH1A1NR4A2HTT
SCHEMBL427108 0.86 EGFR (0.45) EGFRMAPTALDH1A1EPHX2MCHR1
Hydrochloric Acid SCHEMBL425113 0.85 HRH3 (0.42) EGFRALDH1A1NR4A2HTTNPC1
SCHEMBL428663 0.84 NR4A2 (0.51) NR4A2FFAR1
SCHEMBL424110 0.84 NR4A2 (0.47) ALDH1A1NR4A2KMT2ANPC1RAB9A
SCHEMBL426003 0.83 EGFR (0.46) EGFRMCHR1NR4A2
Hydrochloric Acid SCHEMBL426991 0.83 EGFR (0.44) EGFRALDH1A1NR4A2HTTNPC1
Hydrochloric Acid SCHEMBL422459 0.82 MAPT (0.53) MAPTALDH1A1EPHX2KMT2AGAA
SCHEMBL425969 0.81 NR4A2 (0.52) NR4A2KMT2ANPC1FFAR1

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 6 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-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 3976/4885MAPT 4033/4885ALDH1A1 596/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI EGFR 3976/4885MAPT 4033/4885ALDH1A1 596/4885

“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.