SCHEMBL1124181

SCHEMBL1124181

O=[N+]([O-])c1ccc(C2CNCCN2C2(N3CCOCC3)N=C(N3CCOCC3)C=CN2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KCNJ1 P48048 1/20 0.31

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
SCHEMBL1124009 0.69 KMT2A (0.48) ADRB1SIRT6ALDH1A1CYP1A2CYP2C9
SCHEMBL1124108 0.67 KMT2A (0.50) ADRB1SIRT6ALDH1A1CYP1A2CYP2C9
SCHEMBL8127953 0.66 ADRB1 (0.53) ADRB1SIRT6ALDH1A1CYP1A2MAPT
SCHEMBL1982735 0.64 AKR1C3 (0.56) ADRB1SIRT6ALDH1A1CYP1A2CYP2C9
SCHEMBL27544020 0.62 ADRB1 (0.47) ADRB1SIRT6ALDH1A1MAPTKDM4E
SCHEMBL7258863 0.60 ADRB1 (0.44) ADRB1SIRT6ALDH1A1DPP4MAPT
SCHEMBL7230204 0.60 ADRB1 (0.44) ADRB1SIRT6ALDH1A1HPGDMAPT
SCHEMBL85548 0.60 AKR1C3 (0.71) ADRB1SIRT6ALDH1A1CYP1A2CYP2C9
SCHEMBL522461 0.59 ADRB1 (0.43) ADRB1SIRT6ALDH1A1DPP4MAPT
SCHEMBL28408131 0.59 ADRB1 (0.43) ADRB1SIRT6ALDH1A1HPGDDPP4

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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 — — US claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 — — EP claimed

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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 ADRB1 2244/4885SIRT6 267/4885ALDH1A1 213/4885

“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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