SCHEMBL29911282

SCHEMBL29911282

CCOC(=O)c1nn2c(c1Br)CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ TMEM97 Q5BJF2 7/20 0.40
▸ SIGMAR1 Q99720 7/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ HRH2 P25021 2/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CHRM5 P08912 1/20 0.40

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
SCHEMBL25408322 0.88 MEN1 (0.41) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL26969083 0.82 ALDH1A1 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26969090 0.81 MEN1 (0.45) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL26969129 0.80 MEN1 (0.44) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL3313601 0.77 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL30515585 0.77 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL7658562 0.76 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL16379679 0.75 MEN1 (0.48) L3MBTL1SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL16217176 0.75 MEN1 (0.48) L3MBTL1SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL24348526 0.74 GRM5 (0.43) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1

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 L3MBTL1 527/4885SMN1; SMN2 2849/4885CYP2C19 3462/4885

“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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