SCHEMBL19367683

SCHEMBL19367683

ClP1N(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RECQL P46063 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ATM Q13315 1/20 0.32
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
GFER P55789 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20109317 0.72 SLC18A3 (0.40) SMN1; SMN2CYP1A2CYP2C9LMNAMEN1
SCHEMBL19367687 0.72 CYP1A2 (0.32) NPSR1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL19367680 0.71 ATM (0.37) SMN1; SMN2NPSR1LMNAMEN1KMT2A
SCHEMBL2775831 0.69 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2775830 0.69 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL20109304 0.67 ATM (0.34) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL19374549 0.67 ATM (0.33) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL8977093 0.66 GSK3A (0.39) NPSR1MEN1KMT2AGAAALDH1A1
SCHEMBL16786532 0.65 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1008540 0.65 NPSR1 (0.39) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19

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 6 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-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-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
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 (4 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 SMN1; SMN2 3047/4885NPSR1 1082/4885CYP1A2 3840/4885
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 SMN1; SMN2 3466/4885NPSR1 1001/4885CYP1A2 4206/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 SMN1; SMN2 3047/4885NPSR1 1082/4885CYP1A2 3840/4885
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 SMN1; SMN2 3466/4885NPSR1 1001/4885CYP1A2 4206/4885

“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.