SCHEMBL8968288

SCHEMBL8968288

NCCNS(=O)(=O)c1ccc(N)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.61
CYP1A2 P05177 5/20 0.61
CYP2C9 P11712 5/20 0.61
CYP2C19 P33261 5/20 0.61
CYP2D6 P10635 5/20 0.61
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 2/20 0.61
FPR2 P25090 2/20 0.61
CSNK1A1 P48729 2/20 0.61
MTOR P42345 1/20 0.61
MYLK Q15746 1/20 0.61
NSD2 O96028 7/20 0.61
TP53 P04637 6/20 0.60
THPO P40225 4/20 0.60
NFKB1 P19838 3/20 0.60
PMP22 Q01453 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
APEX1 P27695 1/20 0.60
BLM P54132 1/20 0.60
SCN1A P35498 3/20 0.51

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
SCHEMBL8488159 0.91 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL11573784 0.86 NSD2 (0.59) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL19603056 0.84 CYP3A4 (0.81) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL11686439 0.83 NSD2 (0.86) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9050527 0.82 NSD2 (0.56) CYP2C9CYP2C19NSD2NPSR1TSHR
SCHEMBL1366996 0.79 NSD2 (0.55) NSD2
SCHEMBL8864869 0.79 NSD2 (0.54) NSD2
SCHEMBL4263470 0.79 CYP3A4 (0.78) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL9894851 0.79 NSD2 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3354585 0.78 NSD2 (0.54) CYP1A2CYP2C9CYP2D6KDM4ENSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003448-A None JP disclosed
US-20160375143-A1 MIKTO-ARM BRANCHED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-29 US disclosed
EP-3074440-A1 MIKTO-ARM BRANCHED POLYMERS Commonwealth Scientific & Industrial Research Organisation ( C.S.I.R.O. ) (AU) 2016-10-05 EP disclosed
WO-2015077831-A1 MIKTO-ARM BRANCHED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2015-06-04 WO disclosed
EP-0451824-B1 Chelating compounds and their use NIHON MEDIPHYSICS CO LTD (JP) 1996-02-14 EP disclosed
US-5196576-A Medical imaging of liver tissue NIHON MEDI-PHYSICS CO., LTD. (JP) 1993-03-23 US disclosed
US-5138039-A Diagnosis, therapy NIHON MEDI-PHYSICS CO., LTD (JP) 1992-08-11 US disclosed
JP-H023448-A FLUORESCENT ACRYLAMIDE COMPOUND SEIKO INSTR INC 1990-01-09 JP 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-20160375143-A1 MIKTO-ARM BRANCHED POLYMERS MACO1, PCNA, IPO7 CYP3A4 3083/4885CYP1A2 4493/4885CYP2C9 4440/4885

“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.