SCHEMBL20008617

SCHEMBL20008617

NCCCCNc1c2ccccc2nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
RAD52 P43351 3/20 0.68
ACHE P22303 5/20 0.64
RAB9A P51151 2/20 0.62
SLC2A1 P11166 2/20 0.62
NPC1 O15118 1/20 0.62
APOBEC3A P31941 1/20 0.62
KMT2A Q03164 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MITF O75030 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TTR P02766 1/20 0.62
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
CACNA2D1 P54289 1/20 0.61
HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL11934972 0.98 ACHE (0.67) POLBRAD52ACHERAB9ASLC2A1
Hydrochloric Acid SCHEMBL8065778 0.97 ACHE (0.65) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL7628718 0.95 POLB (0.70) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL5578493 0.91 POLB (0.79) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL13856923 0.89 POLB (0.77) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL6033155 0.89 POLB (0.77) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL17423196 0.89 CACNA2D1 (0.69) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL8609424 0.87 POLB (0.68) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL7869214 0.87 POLB (0.79) POLBRAD52ACHERAB9ASLC2A1
SCHEMBL7880366 0.87 POLB (0.78) POLBRAD52RAB9ASLC2A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225631-A1 INTERCALATING SUGAR MOLECULES XALUD THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
US-10329258-B2 CGAS in systemic lupus erythematosus (SLE) UNIVERSITY OF WASHINGTON (US) 2019-06-25 US disclosed
US-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) UNIVERSITY OF WASHINGTON 2018-03-29 US disclosed
US-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) UNIVERSITY OF WASHINGTON 2018-03-29 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-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) STING1, IRF3, CGAS POLB 95/4885RAD52 450/4885ACHE 4872/4885
US-10329258-B2 CGAS in systemic lupus erythematosus (SLE) STING1, IRF3, CGAS POLB 95/4885RAD52 450/4885ACHE 4872/4885

“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.