SCHEMBL30983830

SCHEMBL30983830

CC1(Oc2ccnc(NCc3ccccc3)c2[N+](=O)[O-])CCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA7 P43166 4/20 0.47
▸ CA13 Q8N1Q1 4/20 0.47
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ EGFR P00533 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL31269407 0.88 CTSB (0.39) HTTKDM4ELMNAALDH1A1NPC1
SCHEMBL30984085 0.81 PSMB1 (0.43) HTTKDM4ESMN1; SMN2LMNAEGFR
SCHEMBL30983876 0.81 HTT (0.59) HTTCA1CA2CA7CA13
SCHEMBL30983969 0.78 ALDH1A1 (0.34) HTTCA1CA2CA7CA13
SCHEMBL5033956 0.78 HTT (0.52) HTTCA1CA2CA7CA13
SCHEMBL30984080 0.74 CA1 (0.42) HTTCA1CA2CA7CA13
SCHEMBL4743191 0.74 HTT (0.61) HTTCA1CA2CA7CA13
SCHEMBL8562625 0.73 HTT (0.67) HTTCA1CA2CA7CA13
SCHEMBL6277448 0.73 HTT (0.60) HTTCA1CA2CA7CA13
SCHEMBL30983985 0.73 CTSB (0.43) MAPTKDM4EPOLBLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4689155-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS Astrazeneca AB (SE) 2026-02-11 — — EP disclosed
EP-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 — — EP disclosed
US-12414954-B2 POLQ inhibitors ASTRAZENECA AB (SE) 2025-09-16 — — US disclosed
US-20250195530-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2025-06-19 — — US disclosed
US-20240366615-A1 POLQ INHIBITORS ASTRAZENECA UK LIMITED (GB) 2024-11-07 — — US disclosed
WO-2024201368-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS ASTRAZENECA AB (SE) 2024-10-03 — — WO disclosed
WO-2024121753-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2024-06-13 — — 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 (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-20240366615-A1 POLQ INHIBITORS POLQ, POLG, POLB HTT 2747/4885CA1 3598/4885CA2 3019/4885
US-12414954-B2 POLQ inhibitors POLQ, POLG, POLB HTT 2747/4885CA1 3598/4885CA2 3019/4885
US-20250195530-A1 POLQ INHIBITORS POLQ, POLG, POLB HTT 2747/4885CA1 3598/4885CA2 3019/4885

“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.

Send feedback