SCHEMBL4726253

SCHEMBL4726253

CCN(CC)CCCNc1c2ccccc2nc2ccccc12

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.91
POLB P06746 4/20 0.73
RAD52 P43351 3/20 0.73
RAB9A P51151 2/20 0.73
SLC2A1 P11166 2/20 0.73
NPC1 O15118 1/20 0.73
APOBEC3A P31941 1/20 0.73
KMT2A Q03164 1/20 0.73
APOBEC3G Q9HC16 1/20 0.73
BCHE P06276 2/20 0.65
TOP2A P11388 1/20 0.65
ACHE P22303 1/20 0.62
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MITF O75030 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
TTR P02766 1/20 0.59
GLA P06280 1/20 0.59
TSHR P16473 1/20 0.57

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
Hydrochloric Acid SCHEMBL2683722 0.98 CACNA2D1 (0.89) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL8288058 0.95 CACNA2D1 (1.00) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL8288053 0.85 CACNA2D1 (0.79) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL4725486 0.84 RAD52 (1.00) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL31087715 0.84 RAD52 (1.00) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL4913303 0.84 KDM4E (0.79) CACNA2D1POLBRAD52RAB9ASLC2A1
Hydrochloric Acid SCHEMBL30662069 0.82 SLC2A1 (0.65) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL9748474 0.82 POLB (0.70) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL5578493 0.82 POLB (0.79) CACNA2D1POLBRAD52RAB9ASLC2A1
SCHEMBL7869214 0.82 POLB (0.79) CACNA2D1POLBRAD52RAB9ASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169183-A1 Acridines as stimulators for Fas-mediated apoptosis TELIK, INC. 2002-11-14 US claimed
WO-2002072096-A1 ACRIDINES AS STIMULATORS FOR FAS-MEDIATED APOPTOSIS TELIK, INC. (US) 2002-09-19 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
US-20020169183-A1 Acridines as stimulators for Fas-mediated apoptosis TELIK, INC. 2002-11-14 US disclosed
WO-2002072096-A1 ACRIDINES AS STIMULATORS FOR FAS-MEDIATED APOPTOSIS TELIK, INC. (US) 2002-09-19 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 (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-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 CACNA2D1 4762/4885POLB 3935/4885RAD52 2325/4885
US-20020169183-A1 Acridines as stimulators for Fas-mediated apoptosis BAD, BAX, CASP3 CACNA2D1 1494/4885POLB 3529/4885RAD52 3229/4885

“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.