SCHEMBL3520677

SCHEMBL3520677

CC(C)(C)n1cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GRN P28799 5/20 0.38
SORT1 Q99523 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL13539048 0.83 BAZ2B (0.35) POLBAPEX1TDP1L3MBTL1MEN1
SCHEMBL22403096 0.82 LMNA (0.41) POLBAPEX1TDP1L3MBTL1MEN1
SCHEMBL15519140 0.79 POLB (0.46) POLBAPEX1TDP1L3MBTL1HDAC4
SCHEMBL11633601 0.75 ALDH1A1 (0.46) POLBAPEX1TDP1L3MBTL1ALOX15
SCHEMBL335459 0.71
SCHEMBL4600805 0.71 PTGS2 (0.49) POLBTDP1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL5395245 0.70 RAB9A (0.53) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL8095132 0.69
SCHEMBL8079706 0.68 HSP90AA1 (0.45) POLBAPEX1TDP1L3MBTL1HDAC4
Hydrazine SCHEMBL3522472 0.68 RAB9A (0.51) POLBMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521238-B Preparation method of N-methyl-2- (2-chloroethyl) pyrrolidine 甘肃瀚聚药业有限公司 2024-05-31 CN claimed
CN-115521238-B Preparation method of N-methyl-2- (2-chloroethyl) pyrrolidine 甘肃瀚聚药业有限公司 2024-05-31 CN disclosed
CN-115521238-B Preparation method of N-methyl-2- (2-chloroethyl) pyrrolidine 甘肃瀚聚药业有限公司 2024-05-31 CN disclosed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
CN-101636476-B Composition, method and purposes INNOSPEC LTD. (GB) 2015-08-12 CN disclosed
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed
US-7608633-B2 Heteroaryl-substituted acetone derivatives as inhibitors of phospholipase A2 MERCKLE GMBH (DE) 2009-10-27 US disclosed
EP-1590324-B1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb MERCKLE GMBH (DE) 2009-03-11 EP disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 US disclosed
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 US disclosed
US-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 MERCKLE GMBH (DE) 2006-06-29 US disclosed
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents WYETH 2003-11-27 US disclosed
US-6608068-B2 Substituted indoline derivative compounds which are antagonists of the progesterone receptor; contraceptives; antineoplastic agents WYETH 2003-08-19 US disclosed
US-6544970-B2 Administering in a first phase of a progestational agent (levonorgestrel or ethinylestradiol) and in a second phase an antiprogestin that is an indolinone derivative, especially a 3-spiroalkylene derivative WYETH 2003-04-08 US disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (5 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-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 PLD2, PLA2G1B, PLA2G4A POLB 2397/4885APEX1 3394/4885TDP1 2434/4885
US-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR POLB 4140/4885APEX1 2032/4885TDP1 2536/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR POLB 4042/4885APEX1 1966/4885TDP1 2243/4885
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents PGR, CYP19A1, PGRMC1 POLB 3154/4885APEX1 2382/4885TDP1 1992/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 POLB 3515/4885APEX1 2385/4885TDP1 3784/4885

“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.