SCHEMBL5479004

SCHEMBL5479004

CC(C)=Nc1ccc(-c2ccc(Nc3ccccc3)c(Nc3ccccc3)c2)cc1N=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ GAA P10253 5/20 0.36
▸ ALK Q9UM73 2/20 0.35
▸ MAPT P10636 8/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35

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
SCHEMBL5477823 0.88 AKR1C3 (0.39) AKR1C3AKR1C2GAAALKMAPT
SCHEMBL14583072 0.87 AKR1C3 (0.40) AKR1C3AKR1C2GAAALKMAPT
SCHEMBL5478995 0.87 AKR1C3 (0.43) AKR1C3AKR1C2GAAALKMAPT
SCHEMBL11813158 0.80 HSD17B10 (0.50) AKR1C3AKR1C2GAAALKMAPT
SCHEMBL5084688 0.78 ALDH1A1 (0.31) ALDH1A1TDP1HPGDCYP3A4
SCHEMBL5475423 0.78 KIF11 (0.33) MAPTPRKCIPOLB
SCHEMBL5473603 0.77 AKR1C3 (0.44) AKR1C3AKR1C2GAAMAPTKDM4E
SCHEMBL5379928 0.76 ALK (0.53) GAAALKMAPTKDM4EALDH1A1
SCHEMBL5480337 0.75 AKR1C3 (0.42) AKR1C3AKR1C2GAAMAPTKDM4E
SCHEMBL21698312 0.74 CXCR2 (0.48) AKR1C3AKR1C2GAAMAPTKDM4E

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 AKR1C3 201/4885AKR1C2 221/4885GAA 4582/4885

“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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