SCHEMBL5452656

SCHEMBL5452656

O=[N+]([O-])C1CN(Cc2ccccc2)CC1c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.61
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR5 P51681 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 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
SCHEMBL5452654 1.00 RORC (0.61) RORCDRD2DRD3ALDH1A1MAPK1
SCHEMBL5452662 1.00 RORC (0.61) RORCDRD2DRD3ALDH1A1MAPK1
SCHEMBL29129081 1.00 RORC (0.61) RORCDRD2DRD3ALDH1A1MAPK1
SCHEMBL13229947 0.91 CCR5 (0.48) RORCDRD2DRD3ALDH1A1KDM4E
SCHEMBL1202294 0.91 CCR5 (0.48) RORCDRD2DRD3ALDH1A1KDM4E
SCHEMBL1202290 0.91 CCR5 (0.48) RORCDRD2DRD3ALDH1A1KDM4E
SCHEMBL16965290 0.91 CCR5 (0.48) RORCDRD2DRD3ALDH1A1KDM4E
SCHEMBL1977480 0.88 RORC (0.46) RORCDRD2DRD3ALDH1A1MAPK1
SCHEMBL1202867 0.88 RORC (0.46) RORCDRD2DRD3ALDH1A1MAPK1
SCHEMBL2800422 0.88 RORC (0.46) RORCDRD2DRD3ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-9957274-B2 Indane inhibitors of EED and methods of their use ABBVIE INC. (US) 2018-05-01 US disclosed
US-20170320880-A1 INDANE INHIBITORS OF EED AND METHODS OF THEIR USE ABBVIE INC. 2017-11-09 US disclosed
US-20070270471-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2007-11-22 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 (2 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-20170320880-A1 INDANE INHIBITORS OF EED AND METHODS OF THEIR USE EEF1D, ECI1, EED RORC 420/4885DRD2 1281/4885DRD3 1294/4885
US-20070270471-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GRM3, GLRA3, GLRA1 RORC 932/4885DRD2 271/4885DRD3 228/4885

“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.