SCHEMBL4725486

SCHEMBL4725486

CN(C)CCCNc1c2ccccc2nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 1.00
POLB P06746 3/20 1.00
RAB9A P51151 2/20 1.00
NPC1 O15118 1/20 1.00
SLC2A1 P11166 1/20 1.00
APOBEC3A P31941 1/20 1.00
KMT2A Q03164 1/20 1.00
APOBEC3G Q9HC16 1/20 1.00
CACNA2D1 P54289 1/20 0.67
HRH3 Q9Y5N1 3/20 0.66
HRH1 P35367 2/20 0.66
TERT O14746 1/20 0.66
HRH2 P25021 1/20 0.66
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD2 P14416 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
CHRM3 P20309 1/20 0.65
MAOA P21397 1/20 0.65

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
SCHEMBL31087715 1.00 RAD52 (1.00) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL3952873 0.88 RAD52 (0.78) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL14388990 0.86 RAD52 (0.75) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL17423250 0.86 RAD52 (0.74) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL10313327 0.85 RAD52 (0.73) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL4726253 0.84 CACNA2D1 (0.91) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL5578493 0.84 POLB (0.79) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL7869214 0.84 POLB (0.79) RAD52POLBRAB9ANPC1SLC2A1
Hydrochloric Acid SCHEMBL2683722 0.83 CACNA2D1 (0.89) RAD52POLBRAB9ANPC1SLC2A1
SCHEMBL17423304 0.83 KMT2A (0.69) RAD52POLBRAB9ANPC1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010984-A9 ACRIDINE ACTIVATION OF P53 AND USES THEREOF UNIV PENNSYLVANIA (US) 2008-03-06 WO claimed
WO-2008010984-A2 ACRIDINE ACTIVATION OF P53 AND USES THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-01-24 WO claimed
EP-1854509-A2 Methods and compositions for restoring conformational stability of a protein of the p53 family Pfizer Products Inc. (US) 2007-11-14 EP claimed
EP-1137418-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY Pfizer Products Inc. (US) 2001-10-04 EP claimed
WO-2000032175-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY PFIZER PRODUCTS INC. (US) 2000-06-08 WO claimed
US-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2013-05-30 US disclosed
US-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2013-05-30 US disclosed
WO-2008010984-A9 ACRIDINE ACTIVATION OF P53 AND USES THEREOF UNIV PENNSYLVANIA (US) 2008-03-06 WO disclosed
WO-2008010984-A2 ACRIDINE ACTIVATION OF P53 AND USES THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-01-24 WO disclosed
EP-1854509-A2 Methods and compositions for restoring conformational stability of a protein of the p53 family Pfizer Products Inc. (US) 2007-11-14 EP disclosed
EP-1137418-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY Pfizer Products Inc. (US) 2001-10-04 EP disclosed
WO-2000032175-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY PFIZER PRODUCTS INC. (US) 2000-06-08 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-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 RAD52 2325/4885POLB 3935/4885RAB9A 3361/4885

“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.