SCHEMBL20109283

SCHEMBL20109283

C=C(C(CCBr)C(=O)OCC)P1(=O)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.36
MMP8 P22894 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 3/20 0.34
PIN1 Q13526 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 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
SCHEMBL20109272 0.88 GAA (0.40) TDP1POLBMMP8GAAALDH1A1
SCHEMBL17596430 0.87 TDP1 (0.43) TDP1POLBALDH1A1HPGDPTPN1
SCHEMBL17595869 0.85 ALDH1A1 (0.43) TDP1MMP8GAAALDH1A1MAPT
SCHEMBL17596815 0.85 MMP8 (0.50) TDP1POLBMMP8GAAALDH1A1
SCHEMBL17596772 0.84 OPRD1 (0.37) TDP1POLBMMP8GAAALDH1A1
SCHEMBL17595866 0.83 MMP8 (0.46) MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL20109149 0.82 MMP8 (0.44) TDP1MMP8ALDH1A1MAPTTSHR
SCHEMBL17596436 0.82 GAA (0.39) POLBGAAALDH1A1MAPTTSHR
SCHEMBL20109280 0.82 GAA (0.39) POLBGAAALDH1A1MAPTTSHR
SCHEMBL20109357 0.81 MMP8 (0.43) MMP8ALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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 (2 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 TDP1 2513/4885POLB 3495/4885MMP8 4444/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 TDP1 2513/4885POLB 3495/4885MMP8 4444/4885

“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.