SCHEMBL3149010

SCHEMBL3149010

CN(N)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 1/20 0.48
ABCB1 P08183 1/20 0.48
LMNA P02545 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.45

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
Hydrochloric Acid SCHEMBL28276393 0.98 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTDP1MAPK1
Trifluoroacetic Acid SCHEMBL28270995 0.91 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL7694380 0.85 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1
Benzyl Dimethylcarbamate SCHEMBL5134244 0.85 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1
Benzyl Dimethylcarbamate SCHEMBL20401678 0.85 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1
Benzyl Dimethylcarbamate SCHEMBL14031385 0.85 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL3105664 0.85 ALDH1A1 (0.57) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL20435506 0.84 PRSS1 (0.44) ALDH1A1MAPTHPGDMAPK1KMT2A
SCHEMBL250619 0.83 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL8504139 0.82 ALDH1A1 (0.59) ALDH1A1MAPTHPGDTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885276-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-06-01 EP claimed
US-9346763-B2 Process for the preparation of pyrazole carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2016-05-24 US claimed
EP-2885276-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-06-24 EP claimed
US-20150158818-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US claimed
WO-2014027009-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-20 WO claimed
EP-4583972-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-07-16 EP disclosed
US-12220419-B2 BCL-2 inhibitors NEWAVE PHARMACEUTICAL INC. (US) 2025-02-11 US disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 US disclosed
EP-4073075-A1 SSTR5 ANTAGONISTS Kallyope, Inc. (US) 2022-10-19 EP disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 US disclosed
CN-108164513-B Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders 拜耳制药股份公司 2021-05-07 CN disclosed
US-5037983-A 6,7-dihydroxyquinoxalines as intermediates to beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1991-08-06 US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
US-4904775-A Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1990-02-27 US disclosed
EP-0342423-A2 Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1989-11-23 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 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 (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-20150158818-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID DERIVATIVES PDE10A, PDE3A, PDE5A ALDH1A1 82/4885MAPT 3198/4885HPGD 509/4885
US-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 ALDH1A1 3743/4885MAPT 4392/4885HPGD 913/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 ALDH1A1 3743/4885MAPT 4392/4885HPGD 913/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 ALDH1A1 3666/4885MAPT 4406/4885HPGD 439/4885

“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.