SCHEMBL31329660

SCHEMBL31329660

O=C(CI)Nc1ccc(C2CC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
JAK3 P52333 1/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL878961 0.83 CA1 (0.51) ALDH1A1JAK3RAB9AKMT2AHTT
SCHEMBL31645522 0.82 MAPK14 (0.43) ALDH1A1RAB9AKMT2AHTTCA1
SCHEMBL31645714 0.81 P2RX7 (0.40) ALDH1A1ATMRAB9AMEN1KMT2A
SCHEMBL11149788 0.80 HDAC3 (0.43) ALDH1A1JAK3RAB9AMEN1KMT2A
SCHEMBL3824109 0.77 CA1 (0.48) ALDH1A1JAK3RAB9AMEN1KMT2A
SCHEMBL11283209 0.74 NPC1 (0.43) ALDH1A1JAK3RAB9AMEN1KMT2A
SCHEMBL11160172 0.74 JAK3 (0.37) ALDH1A1JAK3RAB9AMEN1KMT2A
SCHEMBL9610075 0.73 DGAT1 (0.42) JAK3RAB9AHTTNPC1
SCHEMBL3537758 0.72 ESR2 (0.45) ALDH1A1JAK3RAB9AHTTNPC1
SCHEMBL25037229 0.72 ACHE (0.56) ALDH1A1MEN1KMT2ACA1CA2

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
EP-4747253-A1 SPIROCYCLIC WRN HELICASE INHIBITORS Merck Sharp & Dohme LLC (US) 2026-05-27 EP disclosed
US-20250230168-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. 2025-07-17 US disclosed
WO-2025137640-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-26 WO disclosed
WO-2025014846-A1 SPIROCYCLIC WRN HELICASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-01-16 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-20250230168-A1 AZASPIRO WRN INHIBITORS WRN, RECQL, BLM ALDH1A1 1316/4885ATM 546/4885JAK3 4361/4885

“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.