SCHEMBL4713673

SCHEMBL4713673

N/C(=C\[C]=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
BLM P54132 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL4711727 0.78 NAPRT (0.41) RECQLCYP2C19L3MBTL1CYP3A4HSD17B10
SCHEMBL10001025 0.77 RECQL (0.64) RECQLTDP1BLMTSHRPOLB
SCHEMBL347216 0.77 RECQL (0.64) RECQLTDP1BLMTSHRPOLB
SCHEMBL347217 0.77 RECQL (0.64) RECQLTDP1BLMTSHRPOLB
SCHEMBL4712536 0.77 F7 (0.56) TDP1POLBCYP3A4F7F3
SCHEMBL1478038 0.76 ALDH1A1 (0.43) RECQLTDP1BLMTSHRPOLB
SCHEMBL4285852 0.76 NFE2L2 (0.48) RECQLTDP1BLMTSHRPOLB
SCHEMBL7607185 0.73 CES1 (0.39) RECQLTDP1BLMTSHRPOLB
SCHEMBL262233 0.73 CES2 (0.43) RECQLTDP1BLMTSHRPOLB
SCHEMBL6801638 0.73 CES2 (0.43) RECQLTDP1BLMTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402595-B2 Enzyme inhibitors with isoquinolinone structures TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-22 US disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 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 (1 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-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 RECQL 4651/4885TDP1 4262/4885BLM 4259/4885

“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.