SCHEMBL3409591

SCHEMBL3409591

Cc1c(Cl)cccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KCNJ1 P48048 1/20 0.42
ERN1 O75460 3/20 0.40
MAPT P10636 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
RECQL P46063 1/20 0.36

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
SCHEMBL29952946 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL2451551 0.83 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL2478161 0.82 ALDH1A1 (0.45) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL14877176 0.81 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL2181314 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAERN1
SCHEMBL6015170 0.79 TDP1 (0.46) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL3716769 0.79 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL26725771 0.78 MT-CO2 (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL16955594 0.77 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL1532661 0.77 ALDH1A1 (0.60) ALDH1A1TDP1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3737680-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2020-11-18 EP claimed
WO-2019134985-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-07-11 WO claimed
EP-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 EP disclosed
US-20240398772-A1 OXASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU NHWA PHARMACEUTICAL CO., LTD (CN) 2024-12-05 US disclosed
CN-115403570-B Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-10-22 CN disclosed
WO-2024192150-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. (US) 2024-09-19 WO disclosed
EP-4375286-A1 OXASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shujing Biopharma Co., Ltd (CN) 2024-05-29 EP disclosed
CN-117751126-A Oxaspiro derivative, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-22 CN disclosed
US-20230219897-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2023-07-13 US disclosed
EP-4194452-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG Shanghai Zheye Biotechnology Co., Ltd. (CN) 2023-06-14 EP disclosed
US-11655217-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2023-05-23 US disclosed
EP-0077854-A1 Herbicidal halogenated aromatic aminooxyacetic acid compounds and methods of use UNION CARBIDE CORPORATION (US) 1983-05-04 EP disclosed
US-4376769-A Substituted imidazo thiazoles thiazines, thiazepines and thiazocines SCHERING CORPORATION (US) 1983-03-15 US disclosed
EP-0011279-B1 PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-05-05 EP disclosed
US-4268442-A REACTING AN AROMATIC ALKEHYDE WITH A TRIHALOMETHANE AND AN ALKANETHIOL IN THE PRESENCE OF A BASE AND AN APROTIC SOLVENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-05-19 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
EP-0011279-A1 Process for the preparation of aromatically substituted acetic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-05-28 EP disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US 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-20230219897-A1 PYRAZOLE MAGL INHIBITORS MGLL, PNLIP, LPL ALDH1A1 2448/4885TDP1 2067/4885MEN1 3845/4885
US-20240398772-A1 OXASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF OGFR, OPRL1, OPRM1 ALDH1A1 537/4885TDP1 4154/4885MEN1 4061/4885
US-11655217-B2 Pyrazole MAGL inhibitors MGLL, PNLIP, LPL ALDH1A1 2260/4885TDP1 1754/4885MEN1 4052/4885

“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.