SCHEMBL19367685

SCHEMBL19367685

c1ccc([C@@H]2[C@@H](c3ccccc3)N(c3ccccc3)PN2c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 3/20 0.35
ALDH1A1 P00352 6/20 0.34
ATM Q13315 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CES2 O00748 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
HTT P42858 2/20 0.32
GFER P55789 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL19367631 0.87 NPSR1 (0.37) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL2775831 0.72 SMN1; SMN2 (0.41) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL2775830 0.72 SMN1; SMN2 (0.41) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL19367624 0.70 ATM (0.40) NPSR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1008540 0.68 NPSR1 (0.39) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL16786532 0.68 SMN1; SMN2 (0.52) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL6271908 0.67 MAPT (0.43) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL22215194 0.67 RECQL (0.41) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL19374552 0.64 SMN1; SMN2 (0.35) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL19367683 0.64 SMN1; SMN2 (0.36) NPSR1SMN1; SMN2CYP2C19CYP1A2CYP2C9

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-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF (US) 2019-01-31 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 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-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 NPSR1 1001/4885SMN1; SMN2 3466/4885CYP2C19 2492/4885
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 NPSR1 1001/4885SMN1; SMN2 3466/4885CYP2C19 2492/4885

“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.