SCHEMBL18528337

SCHEMBL18528337

CC(C(=O)O)N(C(=N)N)C(=N)N

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
TP53 P04637 1/20 0.35
SLC7A5 Q01650 2/20 0.35
GABRR1 P24046 2/20 0.31

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
SCHEMBL8199615 0.78 NOS3 (0.36) NOS3NOS1NOS2TP53SLC7A5
SCHEMBL12739785 0.78 NOS3 (0.40) NOS3NOS1NOS2TP53SLC7A5
SCHEMBL3194524 0.78 NOS3 (0.40) NOS3NOS1NOS2TP53SLC7A5
Hydrochloric Acid SCHEMBL8194547 0.76 NOS3 (0.35) NOS3NOS1NOS2TP53SLC7A5
SCHEMBL1556565 0.73 TP53 (0.42) TP53SLC7A5GABRR1
SCHEMBL3069002 0.72 ALOX5 (0.32) NOS3NOS1NOS2
Thiourea SCHEMBL27612166 0.71 NOS3 (0.35) NOS3NOS1NOS2TP53SLC7A5
SCHEMBL29263193 0.70 TP53 (0.40) TP53SLC7A5
SCHEMBL5478337 0.70 SLC7A5 (0.40) TP53SLC7A5
Urea SCHEMBL2033880 0.69 TP53 (0.38) NOS3NOS1NOS2TP53SLC7A5

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
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

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 NOS3 3869/4885NOS1 3763/4885NOS2 3782/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 NOS3 3869/4885NOS1 3763/4885NOS2 3782/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 NOS3 3869/4885NOS1 3763/4885NOS2 3782/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 NOS3 3869/4885NOS1 3763/4885NOS2 3782/4885

“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.