SCHEMBL3207835

SCHEMBL3207835

O=C(O)CCNC(=O)Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.80
HPGD P15428 4/20 0.66
GAA P10253 1/20 0.66
TRPV1 Q8NER1 2/20 0.62
CNR1 P21554 1/20 0.62
ALDH1A1 P00352 5/20 0.60
KCNH2 Q12809 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 1/20 0.54
AKR1B1 P15121 1/20 0.54
EPHX2 P34913 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL2677030 0.89 ATM (1.00) ATMHPGDGAATRPV1CNR1
SCHEMBL9827968 0.87 ATM (0.90) ATMHPGDGAATRPV1CNR1
SCHEMBL5656019 0.86 ATM (0.87) ATMHPGDGAATRPV1CNR1
SCHEMBL6349089 0.86 ATM (0.87) ATMHPGDGAATRPV1CNR1
SCHEMBL5842518 0.85 ATM (0.65) ATMHPGDGAATRPV1CNR1
SCHEMBL27330601 0.85 ATM (0.65) ATMHPGDGAATRPV1CNR1
SCHEMBL3199912 0.85 ATM (0.60) ATMHPGDGAATRPV1CNR1
SCHEMBL10585628 0.84 TRPV1 (0.83) ATMHPGDGAATRPV1CNR1
SCHEMBL8277246 0.84 ATM (0.58) ATMHPGDGAATRPV1CNR1
SCHEMBL3207999 0.83 ATM (0.58) ATMHPGDGAATRPV1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220221433-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. 2022-07-14 US claimed
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 EP claimed
CN-113892029-A Mass spectrometry method for detecting metabolites 梅塔博隆股份有限公司 2022-01-04 CN claimed
WO-2020242744-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. (US) 2020-12-03 WO claimed
EP-1880711-B1 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2016-07-20 EP claimed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US claimed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US claimed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP claimed
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION 2003-04-03 US claimed
WO-1998046599-A1 NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1998-10-22 WO claimed
US-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. (US) 2023-08-17 US disclosed
US-11667645-B2 Granzyme B directed imaging and therapy CYTOSITE BIOPHARMA INC. (US) 2023-06-06 US disclosed
US-20220221433-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. 2022-07-14 US disclosed
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 EP disclosed
CN-113892029-A Mass spectrometry method for detecting metabolites 梅塔博隆股份有限公司 2022-01-04 CN disclosed
WO-1994027969-A1 ISOQUINOLINETRIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1994-12-08 WO disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed
US-4219561-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTIARRHYTHMIA, ANGINA PECTORIS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-26 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 (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-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB ATM 3998/4885HPGD 1240/4885GAA 64/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ATM 104/4885HPGD 2394/4885GAA 486/4885
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX ATM 4651/4885HPGD 2420/4885GAA 647/4885
US-11667645-B2 Granzyme B directed imaging and therapy GZMB, PRF1, CTSB ATM 3998/4885HPGD 1240/4885GAA 64/4885

“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.