SCHEMBL2647074

SCHEMBL2647074

CN1Cc2cccc(Br)c2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ABHD6 Q9BV23 4/20 0.41
TRAP1 Q12931 1/20 0.38
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 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
SCHEMBL16076617 0.82 MAOA (0.57) CARM1PRMT6PRMT1MAOAMAOB
SCHEMBL3117967 0.82 MAOA (0.57) CARM1MAOAMAOBABHD6ADRA2A
SCHEMBL25815860 0.80 CARM1 (0.51) CARM1PRMT6PRMT1MAOAMAOB
SCHEMBL8136380 0.77 ALDH1A1 (0.45) MAOAMAOBTRAP1ADRA2ACYP2D6
SCHEMBL9966898 0.75 ABHD6 (0.41) CARM1PRMT6PRMT1ABHD6TRAP1
SCHEMBL23181519 0.75 MAOA (0.42) MAOAMAOBADRA2ACYP2D6ADRA2B
SCHEMBL7898062 0.75 KCNH2 (0.44) MAOAMAOBTRAP1DRD3
SCHEMBL30878941 0.75 SLC6A2 (0.46) MAOAMAOBADRA2ACYP2D6ADRA2B
SCHEMBL13452416 0.75 ADRA2A (0.58) MAOAMAOBTRAP1ADRA2ACYP2D6
SCHEMBL3199731 0.75 DRD2 (0.51) MAOAMAOBDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP 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 (3 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-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS CARM1 851/4885PRMT6 492/4885PRMT1 796/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 CARM1 579/4885PRMT6 132/4885PRMT1 67/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 CARM1 792/4885PRMT6 788/4885PRMT1 878/4885

“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.