SCHEMBL422988

SCHEMBL422988

COC(=O)c1cc2nc(-c3ccc(O)cc3)n(C3CCCCC3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PDE7A Q13946 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
MTOR P42345 1/20 0.38
RPS6KB1 P23443 1/20 0.38
ADRB2 P07550 1/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP3K11 Q16584 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10252626 0.88 GAA (0.43) CYP11B2PDE7AMTORL3MBTL1GAA
SCHEMBL424229 0.88 CYP11B2 (0.38) CYP11B2ALDH1A1PDE7AMEN1CYP1A2
SCHEMBL5014017 0.80 HDAC1 (0.43) ALDH1A1L3MBTL1GAAOPRM1OPRD1
SCHEMBL10252622 0.78 LMNA (0.36) CYP11B2ALDH1A1PDE7AL3MBTL1GAA
SCHEMBL5065691 0.78 RPS6KB1 (0.61) CYP11B2ALDH1A1RPS6KB1L3MBTL1OPRM1
SCHEMBL422989 0.78 ALDH1A1 (0.50) ALDH1A1MEN1CYP1A2KMT2AGAA
SCHEMBL10252562 0.77 NR4A2 (0.46) CYP1A2KMT2AKDM4E
SCHEMBL6701014 0.76 MTOR (0.44) CYP11B2ALDH1A1MTORRPS6KB1L3MBTL1
Hydrochloric Acid SCHEMBL429203 0.76 NR4A2 (0.45) CYP1A2KMT2AKDM4E
SCHEMBL423276 0.74 VDR (0.35)

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 9 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-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 CYP11B2 2203/4885ALDH1A1 596/4885PDE7A 1432/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CYP11B2 2203/4885ALDH1A1 596/4885PDE7A 1432/4885

“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.