SCHEMBL29539416

SCHEMBL29539416

Nc1ccccc1-c1ccccc1.[Pd+2]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.94
HSD17B10 Q99714 3/20 0.94
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DPP4 P27487 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAPK1 P28482 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL30985618 1.00 ALDH1A1 (0.94) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL15571781 0.97 ALDH1A1 (0.90) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL29427302 0.97 ALDH1A1 (0.90) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
SCHEMBL25981 0.97 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
Benzene SCHEMBL28328298 0.97 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
SCHEMBL27950997 0.97 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
SCHEMBL29407079 0.97 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
SCHEMBL28465796 0.97 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
Water SCHEMBL11160127 0.94 ALDH1A1 (0.94) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD
Biphenyl SCHEMBL10703079 0.94 ALDH1A1 (0.94) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2HPGD

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146223-A SNAP-tag probe and preparation and application thereof 中国科学院大连化学物理研究所 2024-06-07 CN claimed
US-20250243170-A1 REMIBRUTINIB DRUG SUBSTANCE AND DRUG PRODUCT SUBSTANTIALLY FREE OF NITROSAMINE IMPURITY NOVARTIS AG (CH) 2025-07-31 US disclosed
WO-2025137267-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
US-20250186456-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2025-06-12 US disclosed
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 CN disclosed
US-20250129021-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-04-24 US disclosed
WO-2025064718-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-03-27 WO disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 CN disclosed
CN-119390681-A Process for preparing COT inhibitor compounds 吉利德科学公司 2025-02-07 CN disclosed
EP-4055019-B1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS INC (US) 2025-01-22 EP disclosed
CN-116323589-A Pyridone compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-06-23 CN disclosed
CN-115677684-A Substituted aryl or heteroaryl compounds 先声药业有限公司 2023-02-03 CN disclosed
US-20230024442-A1 BIFUNCTIONAL COMPOUNDS FOR GRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-01-26 US disclosed
CN-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 CN disclosed
EP-4055019-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY Nurix Therapeutics, Inc. (US) 2022-09-14 EP disclosed
CN-114874209-A Oxadiazole transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-08-09 CN disclosed
CN-114867727-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2022-08-05 CN disclosed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed
CN-114728941-A Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2022-07-08 CN disclosed
CN-110461838-B Oxadiazole transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-05-06 CN 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 (4 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-20250186456-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF KRAS, NRAS, TP53 ALDH1A1 3323/4885HSD17B10 3915/4885L3MBTL1 4356/4885
US-20250243170-A1 REMIBRUTINIB DRUG SUBSTANCE AND DRUG PRODUCT SUBSTANTIALLY FREE OF NITROSAMINE IMPURITY ABL2, SRMS, TPMT ALDH1A1 870/4885HSD17B10 3881/4885L3MBTL1 3954/4885
US-20250129021-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS MYC, KRAS, NRAS ALDH1A1 2630/4885HSD17B10 3549/4885L3MBTL1 2712/4885
US-20230024442-A1 BIFUNCTIONAL COMPOUNDS FOR GRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY BTK, XIAP, CBL ALDH1A1 3861/4885HSD17B10 3607/4885L3MBTL1 1723/4885

“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.