SCHEMBL22717445

SCHEMBL22717445

COC(=O)c1cc(CCl)ncc1-c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ VDR P11473 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ LMNA P02545 1/20 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
SCHEMBL29575360 0.89 VDR (0.46) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1
SCHEMBL22717582 0.89 VDR (0.46) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1
SCHEMBL22717528 0.85 VDR (0.43) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1
SCHEMBL22717397 0.84 POLQ (0.53) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1
SCHEMBL22717267 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1
SCHEMBL29574586 0.81 SLC6A3 (0.47) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1
SCHEMBL22717423 0.81 SLC6A3 (0.47) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1
SCHEMBL22717860 0.80 KDM4E (0.54) ALDH1A1VDRMAPTHSP90AA1HTT
SCHEMBL25307008 0.78 SDHB (0.46) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL22717432 0.78 MAPT (0.45) ALDH1A1SMN1; SMN2VDRMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260049074-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. (US) 2026-02-19 — — US disclosed
US-12509454-B2 Thiadiazolyl derivatives IDEAYA BIOSCIENCES, INC. (US) 2025-12-30 — — US disclosed
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
US-20230078112-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. 2023-03-16 — — US disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 — — EP disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 — — CN disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — 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-20260049074-A1 THIADIAZOLYL DERIVATIVES POLH, POLM, POLD1 ALDH1A1 2481/4885SMN1; SMN2 4185/4885VDR 1100/4885
US-20230078112-A1 THIADIAZOLYL DERIVATIVES POLQ, POLK, POLA1 ALDH1A1 1907/4885SMN1; SMN2 3104/4885VDR 1826/4885
US-12509454-B2 Thiadiazolyl derivatives POLD1, POLQ, DNA2 ALDH1A1 1747/4885SMN1; SMN2 1964/4885VDR 1750/4885

“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