SCHEMBL23780919

SCHEMBL23780919

O=Cc1c(Cl)nc2ccccc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PADI4 Q9UM07 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL4860650 0.82 MAOA (0.55) ERN1MAOAMAOBTDP1KDM4E
SCHEMBL17488417 0.79 ERN1 (0.53) ERN1MAOAMAOBTDP1KDM4E
Benzene SCHEMBL27502416 0.79 ERN1 (0.51) ERN1MAOAMAOBTDP1KDM4E
SCHEMBL1767840 0.76 MAOA (0.47) ERN1MAOAMAOBTDP1KDM4E
SCHEMBL28953244 0.76 MAOA (0.52) ERN1MAOAMAOBTDP1KDM4E
SCHEMBL25213590 0.76 MAOA (0.56) MAOAMAOBTDP1KDM4EMAPT
SCHEMBL9364466 0.75 ERN1 (0.51) ERN1MAOAMAOBTDP1KDM4E
SCHEMBL3042274 0.73 ERN1 (0.61) ERN1MAOAMAOBTDP1KDM4E
SCHEMBL10474175 0.72 RXRA (0.46) ERN1KDM4ENPSR1RXFP1KMT2A
SCHEMBL28226970 0.72 KDM4E (0.49) ERN1TDP1KDM4ENPSR1RXFP1

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-11993602-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-05-28 US disclosed
US-20210277009-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-09-09 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-11993602-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT6 ERN1 1232/4885MAOA 4362/4885MAOB 4206/4885
US-20210277009-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 ERN1 1232/4885MAOA 4362/4885MAOB 4206/4885

“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.