SCHEMBL5334635

SCHEMBL5334635

Nc1ccccc1OP(=O)(Oc1ccccc1N)OP(=O)(Oc1ccccc1N)Oc1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
GAA P10253 2/20 0.37
RCE1 Q9Y256 1/20 0.37

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
SCHEMBL1699762 0.91 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL28347236 0.83 ALDH1A1 (0.54) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL28790810 0.83 ALDH1A1 (0.43) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL569537 0.78 INPPL1 (0.57) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL30118861 0.78 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL10321089 0.78 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL28687913 0.77 INPPL1 (0.55) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL28665448 0.77 INPPL1 (0.55) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL28678394 0.77 INPPL1 (0.55) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL5334638 0.76 SRC (0.44) ALDH1A1ADRA2BPTGS1TDP1LMNA

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-20070142626-A1 CROSS-LINKING REAGENTS FOR HEMOGLOBIN AND HEMOGLOBIN PRODUCTS CROSS-LINKED THEREWITH KLUGER RONALD 2007-06-21 US claimed
WO-2007065265-A1 CROSS-LINKING REAGENTS FOR HEMOGLOBIN AND HEMOGLOBIN PRODUCTS CROSS-LINKED THEREWITH KLUGER RONALD (CA) 2007-06-14 WO 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-20070142626-A1 CROSS-LINKING REAGENTS FOR HEMOGLOBIN AND HEMOGLOBIN PRODUCTS CROSS-LINKED THEREWITH HBG2, HBB, HBG1 ALDH1A1 1740/4885ADRA2B 3893/4885PTGS1 1966/4885

“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.