SCHEMBL22717705

SCHEMBL22717705

COc1ccccc1-c1nc(C)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
DHODH Q02127 2/20 0.48
KDM4E B2RXH2 5/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
GPR35 Q9HC97 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA2A P29274 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL30282819 1.00 ALDH1A1 (0.49) ALDH1A1DHODHKDM4ELMNAGAA
SCHEMBL29695142 0.87 PARP1 (0.53) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL25308518 0.83 DHODH (0.53) ALDH1A1DHODHKDM4ELMNAHPGD
SCHEMBL29574418 0.81 HTT (0.47) ALDH1A1DHODHKDM4ELMNAGAA
SCHEMBL22717581 0.81 HTT (0.47) ALDH1A1DHODHKDM4ELMNAGAA
SCHEMBL31167707 0.80 ALDH1A1 (0.46) ALDH1A1DHODHKDM4ELMNAGAA
SCHEMBL6016408 0.80 ALDH1A1 (0.46) ALDH1A1DHODHKDM4ELMNAGAA
SCHEMBL25306952 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL8946514 0.79 KMT2A (0.54) ALDH1A1DHODHKDM4ELMNAHPGD
SCHEMBL25309336 0.79 CA12 (0.43) ALDH1A1KDM4ELMNAHPGDHTT

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
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
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

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 2481/4885DHODH 655/4885KDM4E 3719/4885
US-20230078112-A1 THIADIAZOLYL DERIVATIVES POLQ, POLK, POLA1 ALDH1A1 1907/4885DHODH 374/4885KDM4E 3851/4885
US-12509454-B2 Thiadiazolyl derivatives POLD1, POLQ, DNA2 ALDH1A1 1747/4885DHODH 106/4885KDM4E 3903/4885

“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.