SCHEMBL4315411

SCHEMBL4315411

N#Cc1c[c]cc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
ATIC P31939 1/20 0.37
GSK3B P49841 4/20 0.36
MYC P01106 4/20 0.36
EGLN2 Q96KS0 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
VNN1 O95497 3/20 0.35
CASP1 P29466 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL16959738 0.82 PARP1 (0.33) PARP15PARP10PARP2POLBCYP3A4
SCHEMBL4319124 0.82 GSK3B (0.37) GSK3BEGLN2CA1CA2
SCHEMBL1570178 0.80 PARP1 (0.42) PARP15PARP10PARP2CA1CA2
SCHEMBL4292695 0.76 CA1 (0.41) EGLN2CA1CA2POLBMAPT
SCHEMBL4319254 0.76 PDK1 (0.36) GSK3BCA1CA2MAPTHSD17B10
SCHEMBL16955381 0.72 PARP1 (0.48) PARP15PARP10CA1CA2POLB
SCHEMBL5848244 0.72 PARP10 (0.36) PARP15PARP10POLBCYP3A4PARP1
SCHEMBL21268373 0.72 DHODH (0.46) PARP15PARP10CA1CA2POLB
SCHEMBL16956503 0.72 PARP1 (0.52) POLBCYP3A4PARP1MAPTTSHR
SCHEMBL27491 0.72 TSHR (0.38) CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT PARP15 261/4885PARP10 181/4885PARP2 1251/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT PARP15 261/4885PARP10 181/4885PARP2 1251/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT PARP15 367/4885PARP10 273/4885PARP2 1553/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX PARP15 3684/4885PARP10 3838/4885PARP2 1502/4885

“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.