SCHEMBL18528405

SCHEMBL18528405

CN(C)NC(=NCC(=O)O)NN

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
KDM7A Q6ZMT4 1/20 0.39
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KDM5C P41229 1/20 0.30
HIF1A Q16665 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
SCHEMBL17234574 1.00 PHF8 (0.39) PHF8KDM2AKDM7ACYP1A2CYP2D6
SCHEMBL17234465 0.72 CYP1A2 (0.36) PHF8KDM2ACYP1A2KDM4EKDM5C
SCHEMBL23566530 0.72 CYP1A2 (0.36) PHF8KDM2ACYP1A2KDM4EKDM5C
SCHEMBL18528423 0.69 MEN1 (0.33) PHF8KDM2AKDM4EKDM5CHIF1A
SCHEMBL18528360 0.67 DNM1 (0.41)
SCHEMBL14510738 0.66
SCHEMBL17234154 0.64 HIF1A (0.38) CYP1A2CYP2D6HSD17B10HIF1A
SCHEMBL23819476 0.64 KDM4E (0.36) PHF8KDM2ACYP1A2CYP2D6HSD17B10
SCHEMBL28928396 0.63 HSD17B10 (0.39) PHF8KDM2AKDM7ACYP1A2CYP2D6
SCHEMBL17489047 0.63 CYP1A2 (0.39) CYP1A2CYP2D6HSD17B10HIF1A

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 7 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
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 (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 PHF8 4283/4885KDM2A 4242/4885KDM7A 3310/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 PHF8 3181/4885KDM2A 2198/4885KDM7A 1704/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 PHF8 3181/4885KDM2A 2198/4885KDM7A 1704/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 PHF8 3181/4885KDM2A 2198/4885KDM7A 1704/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 PHF8 3181/4885KDM2A 2198/4885KDM7A 1704/4885

“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.