SCHEMBL26969107

SCHEMBL26969107

COCC1(COC)CC=C(c2c(CN(C)CCN(C)C(=O)OC(C)(C)C)nn3c2CN(C(=O)OCc2ccccc2)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 4/20 0.49
▸ PARP1 P09874 1/20 0.33
▸ PTGDR2 Q9Y5Y4 6/20 0.33
▸ TMEM97 Q5BJF2 7/20 0.33
▸ SIGMAR1 Q99720 7/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 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
SCHEMBL26969130 0.81 PRMT1 (0.47) PRMT1PARP1TMEM97SIGMAR1MEN1
SCHEMBL21320989 0.74 PRMT1 (0.53) PRMT1
SCHEMBL21321036 0.72 PRMT1 (0.45) PRMT1
SCHEMBL21320996 0.71 PRMT1 (0.43) PRMT1
SCHEMBL21321275 0.70 PRMT1 (0.46) PRMT1
SCHEMBL21321197 0.69 PRMT1 (0.51) PRMT1
SCHEMBL21315224 0.66 PRMT1 (1.00) PRMT1
SCHEMBL20451406 0.65 TMEM97 (0.41) PARP1TMEM97SIGMAR1MEN1KMT2A
SCHEMBL30802045 0.65 SIGMAR1 (0.48) PARP1TMEM97SIGMAR1MEN1KMT2A
SCHEMBL30802046 0.65 SIGMAR1 (0.48) PARP1TMEM97SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416261-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES UNIV TEXAS (US) 2023-12-28 — — US disclosed
WO-2022192527-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-15 — — 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-20230416261-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT7, PRMT5 PRMT1 1/4885PARP1 479/4885PTGDR2 2522/4885

“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.

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