SCHEMBL791968

SCHEMBL791968

CCOCc1cc(N)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CASP1 P29466 3/20 0.43
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.41
MAPK1 P28482 2/20 0.40
KMT2A Q03164 1/20 0.40
PRKCI P41743 1/20 0.38
TACR1 P25103 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
ACHE P22303 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL29665089 0.82 PRKCI (0.39) ALDH1A1CASP1TSHRCYP3A4MAPK1
SCHEMBL12474893 0.82 PRKCI (0.39) ALDH1A1CASP1TSHRCYP3A4MAPK1
SCHEMBL13145347 0.81 PRKCI (0.38) ALDH1A1CASP1TSHRCYP3A4MAPK1
SCHEMBL792462 0.80 TACR1 (0.50) ALDH1A1KMT2ATACR1TAAR1MAPT
SCHEMBL4018262 0.80 ALDH1A1 (0.48) ALDH1A1CASP1TSHRCYP3A4MAPK1
SCHEMBL7761828 0.79 PRKCI (0.58) ALDH1A1CASP1TSHRCYP3A4KMT2A
SCHEMBL16976369 0.79 ALDH1A1 (0.39) ALDH1A1CASP1TSHRCYP3A4MAPK1
SCHEMBL2135557 0.78 ALDH1A1 (0.42) ALDH1A1CASP1TSHRCYP3A4MAPK1
SCHEMBL20968292 0.78 TDP1 (0.45) ALDH1A1CASP1TSHRCYP3A4MAPK1
Hydrochloric Acid SCHEMBL9758701 0.78 ACHE (0.59) ALDH1A1CASP1TSHRCYP3A4KMT2A

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 5 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-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 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-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US 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 (4 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 ALDH1A1 596/4885CASP1 3530/4885TSHR 4648/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885CASP1 3530/4885TSHR 4648/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C ALDH1A1 679/4885CASP1 1337/4885TSHR 4824/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885CASP1 3158/4885TSHR 4089/4885

“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.