SCHEMBL18528448

SCHEMBL18528448

N=C(NCC(=O)O)N[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.32
PLA2G2A P14555 1/20 0.32
CTH P32929 1/20 0.30
POLB P06746 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
SCHEMBL1819959 0.74
SCHEMBL5276371 0.74 ALDH1A1 (0.44) ALDH1A1TP53LMNAHIF1A
Hydrochloric Acid SCHEMBL27918592 0.72 LMNA (0.44) ALDH1A1TP53LMNAPOLB
SCHEMBL2161228 0.71 ALDH1A1 (0.37) ALDH1A1TP53LMNAPOLB
SCHEMBL25859824 0.71 ALDH1A1 (0.33) ALDH1A1TP53
SCHEMBL11521606 0.71 ALDH1A1 (0.41) ALDH1A1TP53LMNA
SCHEMBL21461381 0.70
SCHEMBL3164772 0.69 MAPT (0.36) ALDH1A1TP53LMNAMAPTKMT2A
SCHEMBL9656289 0.69 ALDH1A1 (0.32) ALDH1A1TP53
Hydrochloric Acid SCHEMBL7295055 0.69 NOS1 (0.35) ALDH1A1TP53LMNATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 L3MBTL1 4766/4885ALDH1A1 1159/4885EGLN1 2442/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 L3MBTL1 3647/4885ALDH1A1 2023/4885EGLN1 3171/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 L3MBTL1 3647/4885ALDH1A1 2023/4885EGLN1 3171/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 L3MBTL1 3647/4885ALDH1A1 2023/4885EGLN1 3171/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 L3MBTL1 3647/4885ALDH1A1 2023/4885EGLN1 3171/4885

“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.