SCHEMBL5176754

SCHEMBL5176754

CC(=O)n1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
SLC6A2 P23975 1/20 0.47
SNCA P37840 2/20 0.44
CYP19A1 P11511 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KRAS P01116 1/20 0.41

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
SCHEMBL29642981 1.00 NOTUM (0.51) NOTUMCYP11B1CYP11B2SLC6A2SNCA
SCHEMBL17542582 0.88 NOTUM (0.51) NOTUMSNCACA12CA9MAPK1
SCHEMBL2927570 0.86 SLC6A2 (0.48) SLC6A2CYP19A1CA12CA9ALDH1A1
SCHEMBL5104632 0.84 SLC6A2 (0.47) SLC6A2CYP19A1ALDH1A1MAPTCYP1A2
SCHEMBL17156533 0.81 SLC6A2 (0.44) SLC6A2CYP19A1CYP1A2KRAS
SCHEMBL31532161 0.80 MAPT (0.47) SLC6A2CYP19A1MAPK1ALDH1A1MAPT
SCHEMBL312821 0.80 MAPT (0.47) SLC6A2CYP19A1MAPK1ALDH1A1MAPT
SCHEMBL2769896 0.80 TSHR (0.59) SLC6A2CYP19A1MAPK1KMT2AALDH1A1
SCHEMBL13299389 0.78 KRAS (0.54) SLC6A2CYP19A1CYP1A2KRAS
SCHEMBL28771662 0.78 SLC6A2 (0.44) SLC6A2SNCACYP19A1CA12CA9

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
EP-4724443-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE Acrivon Therapeutics, Inc. (US) 2026-04-15 EP disclosed
WO-2025245484-A1 FOXN1 ACTIVATORS THYMOFOX INC. (US) 2025-11-27 WO disclosed
WO-2024254490-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE ACRIVON THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1773828-A1 HETEROCYCLE -SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006010642-A1 HETEROCYCLE-SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 WO disclosed
EP-1621539-A1 Heterocycle -substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP disclosed
US-6433134-B1 PRETREATMENT OF PEPTIDES AND NUCLEIC ACID WITH PROTECTED PRECURSORS BIOCEPT, INC. 2002-08-13 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 (1 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 NOTUM 4070/4885CYP11B1 1128/4885CYP11B2 1373/4885

“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.