SCHEMBL29359751

SCHEMBL29359751

O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 1.00
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
KDM4E B2RXH2 11/20 0.65
MAPT P10636 10/20 0.65
TDP1 Q9NUW8 6/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HTT P42858 6/20 0.61
NPC1 O15118 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
GCGR P47871 1/20 0.59
CCR6 P51684 1/20 0.58
PSMD14 O00487 1/20 0.58
THRB P10828 1/20 0.58

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
SCHEMBL21292676 1.00 PHGDH (1.00) PHGDHMEN1KMT2AKDM4EMAPT
SCHEMBL14583880 1.00 PHGDH (1.00) PHGDHMEN1KMT2AKDM4EMAPT
SCHEMBL12766815 0.87 MEN1 (0.78) PHGDHMEN1KMT2AKDM4EMAPT
SCHEMBL1638695 0.87 MEN1 (0.78) PHGDHMEN1KMT2AKDM4EMAPT
SCHEMBL1638698 0.87 MEN1 (0.78) PHGDHMEN1KMT2AKDM4EMAPT
SCHEMBL21292817 0.85 PHGDH (0.74) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL16035055 0.85 PHGDH (0.79) PHGDHMEN1KMT2AKDM4EMAPT
SCHEMBL21292815 0.85 PHGDH (0.74) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL21292819 0.85 PHGDH (0.79) PHGDHMEN1KMT2AKDM4EMAPT
SCHEMBL14983731 0.84 MEN1 (0.77) PHGDHMEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12628858-B2 Therapy for colorectal and small intestine cancers CORNELL UNIVERSITY (US) 2026-05-19 US disclosed
WO-2023237873-A1 TARGETS FOR CANCER THERAPY THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2023-12-14 WO disclosed
US-20230100559-A1 Compositions and Methods for Treatment of Disease by Manipulation of Serine Metabolism THE TRUSTEES OF PRINCETON UNIVERSITY 2023-03-30 US disclosed
US-20220400732-A1 ANTI-FRUCTOSE THERAPY FOR COLORECTAL AND SMALL INTESTINE CANCERS CORNELL UNIVERSITY 2022-12-22 US disclosed
CN-110392681-B Tosylacetate-based compounds and derivatives thereof as PHGDH inhibitors 勃林格殷格翰国际有限公司 2022-11-25 CN disclosed
US-20220142948-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-05-12 US disclosed
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 US disclosed
EP-3942023-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY The Broad Institute, Inc. (US) 2022-01-26 EP 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-20220400732-A1 ANTI-FRUCTOSE THERAPY FOR COLORECTAL AND SMALL INTESTINE CANCERS KHK, GCK, FN3K PHGDH 275/4885MEN1 2992/4885KMT2A 1229/4885
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 PHGDH 1/4885MEN1 190/4885KMT2A 1325/4885
US-20230100559-A1 Compositions and Methods for Treatment of Disease by Manipulation of Serine Metabolism SHMT2, PC, ME2 PHGDH 94/4885MEN1 2816/4885KMT2A 2535/4885
US-12628858-B2 Therapy for colorectal and small intestine cancers FABP2, PKN2, APC PHGDH 203/4885MEN1 2799/4885KMT2A 1043/4885

“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.