SCHEMBL5478470

SCHEMBL5478470

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KCNH2 Q12809 2/20 0.36
▸ CYP3A4 P08684 5/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP17A1 P05093 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL5477929 0.88 — —
SCHEMBL5478487 0.87 TDP1 (0.38) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5478468 0.86 CYP3A4 (0.39) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5482715 0.72 CA12 (0.46) TDP1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL18635926 0.72 CASP1 (0.34) TDP1CYP3A4ALDH1A1TSHRTP53
SCHEMBL5480328 0.72 APP (0.38) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL5481650 0.70 — —
SCHEMBL5477932 0.70 APP (0.38) TDP1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL5476090 0.69 — —
Ethane SCHEMBL1599237 0.69 TDP1 (0.88) TDP1MEN1KMT2AKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1132/4885MEN1 1236/4885KMT2A 243/4885

“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.

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