SCHEMBL17234580

SCHEMBL17234580

N/N=C(\N)NCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.47
ATM Q13315 1/20 0.44
ADRA1A P35348 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
PLA2G4A P47712 1/20 0.41
LMNA P02545 4/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
EPHX2 P34913 1/20 0.40
FABP4 P15090 1/20 0.40
TSHR P16473 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL466337 1.00 PRMT1 (0.47) PRMT1ATMADRA1ACA1CA2
SCHEMBL585705 0.94 PRMT1 (0.55) PRMT1ADRA1ALMNAEPHX2TSHR
SCHEMBL8944734 0.92 PRMT1 (0.59) PRMT1ADRA1APLA2G4ALMNAEPHX2
SCHEMBL17234155 0.87 ECE1 (0.43) PRMT1ADRA1ACA1CA2LMNA
SCHEMBL10752337 0.87 ECE1 (0.43) PRMT1ADRA1ACA1CA2LMNA
SCHEMBL28236290 0.83 PRMT1 (0.47) PRMT1ATMADRA1ACA1CA2
SCHEMBL19933297 0.82 ADRA1A (0.47) PRMT1ATMADRA1ACA1CA2
SCHEMBL25366603 0.80 PRMT1 (0.44) PRMT1ATMADRA1ACA1CA2
SCHEMBL2035521 0.78 PRMT1 (0.54) PRMT1ATMADRA1ACA1CA2
SCHEMBL33717 0.74 PRMT1 (0.50) PRMT1ATMADRA1APLA2G4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
WO-2016176636-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2016-11-03 WO disclosed
WO-2015168465-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2015-11-05 WO 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-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 PRMT1 432/4885ATM 664/4885ADRA1A 2611/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 PRMT1 432/4885ATM 664/4885ADRA1A 2611/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 PRMT1 432/4885ATM 664/4885ADRA1A 2611/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 PRMT1 432/4885ATM 664/4885ADRA1A 2611/4885

“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.