SCHEMBL5080857

SCHEMBL5080857

CC(C)=Nc1ccc(-c2ccc(N)c(N)c2)cc1N=C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ CYP3A4 P08684 7/20 0.41
▸ CYP17A1 P05093 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ KCNH2 Q12809 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ ALOX15 P16050 4/20 0.38
▸ TSHR P16473 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ GFER P55789 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HDAC3 O15379 1/20 0.33

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
SCHEMBL5078700 0.91 TDP1 (0.54) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5078693 0.91 TDP1 (0.54) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5084688 0.86 ALDH1A1 (0.31) TDP1CYP3A4ALDH1A1HPGDESR2
SCHEMBL5475452 0.85 KMT2A (0.41) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5080855 0.84 KMT2A (0.42) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5470900 0.84 CYP3A4 (0.43) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5832862 0.77 PTK2 (0.37) TDP1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL5082259 0.73 TDP1 (0.70) TDP1KMT2AMEN1CYP3A4CYP17A1
Hydrogen Peroxide SCHEMBL2904527 0.72 TDP1 (0.88) TDP1KMT2AMEN1CYP3A4CYP17A1
Ethane SCHEMBL1599237 0.72 TDP1 (0.88) TDP1KMT2AMEN1CYP3A4CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 — — EP disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 — — US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 — — US disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 — — EP disclosed
EP-1462471-A1 Dielectric films and materials thereof Daicel Chemical Industries, Ltd. (JP) 2004-09-29 — — EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 — — 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 (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-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 TDP1 1132/4885KMT2A 243/4885MEN1 1236/4885

“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.

Send feedback