SCHEMBL14756359

SCHEMBL14756359

CNCCNC(=O)NCCNC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.46
PRMT1 Q99873 1/20 0.39
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21582896 0.89 EPHX1 (0.58) EPHX1EPHX2KDM4CKDM4EMEN1
SCHEMBL6280293 0.89 EPHX1 (0.44) EPHX1PRMT1EPHX2USP2TSHR
SCHEMBL4545267 0.88
Hydrochloric Acid SCHEMBL23834081 0.87 EPHX1 (0.43) EPHX1PRMT1EPHX2USP2TSHR
SCHEMBL6290325 0.85 EPHX1 (0.68) EPHX1EPHX2
SCHEMBL20879978 0.85 EPHX1 (0.37) EPHX1PRMT1EPHX2KDM4EMAPK1
SCHEMBL15984870 0.85 EPHX1 (0.37) EPHX1PRMT1EPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL23834079 0.85 EPHX1 (0.41) EPHX1EPHX2USP2TSHRKDM4C
SCHEMBL11231320 0.82 EPHX1 (0.54) EPHX1PRMT1EPHX2KEAP1NFE2L2
SCHEMBL19172568 0.81 KEAP1 (0.47) EPHX1PRMT1EPHX2USP2TSHR

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
WO-2024052692-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed
CN-108929705-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element, polymer, and diamine JSR株式会社 2023-05-30 CN disclosed
EP-3122328-B1 SILANE CONTAINING RESPECTIVELY AT LEAST TWO ALKOXY GROUPS AND A GUANIDONO OR CARBAMIDE GROUP EVONIK DEGUSSA GMBH (DE) 2019-05-01 EP disclosed
WO-2015144384-A1 SILANE CONTAINING RESPECTIVELY AT LEAST TWO ALKOXY GROUPS AND A GUANIDONO OR CARBAMIDE GROUP EVONIK DEGUSSA GMBH (DE) 2015-10-01 WO disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 EPHX1 3677/4885PRMT1 1082/4885EPHX2 1893/4885

“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.