SCHEMBL510877

SCHEMBL510877

NCCNCCNCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.55
LMNA P02545 4/20 0.55
CA12 O43570 4/20 0.55
CA6 P23280 4/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA5B Q9Y2D0 4/20 0.55
CA4 P22748 3/20 0.55
CA5A P35218 3/20 0.55
ALOX15 P16050 3/20 0.55
CA1 P00915 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CA3 P07451 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RECQL P46063 3/20 0.50

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
SCHEMBL14797849 1.00 CA2 (0.55) CA2LMNACA12CA6CA7
SCHEMBL9152588 1.00 CA2 (0.55) CA2LMNACA12CA6CA7
SCHEMBL16322021 1.00 CA2 (0.55) CA2LMNACA12CA6CA7
Hydrochloric Acid SCHEMBL27420353 0.98 KDM4E (0.57) CA2LMNACA12CA6CA7
SCHEMBL28401853 0.98 CA2 (0.52) CA2LMNACA12CA6CA7
SCHEMBL28782714 0.98 CA2 (0.52) CA2LMNACA12CA6CA7
SCHEMBL28382506 0.98 CA2 (0.52) CA2LMNACA12CA6CA7
SCHEMBL28782783 0.98 CA2 (0.52) CA2LMNACA12CA6CA7
SCHEMBL25747 0.95
SCHEMBL5598893 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139083-A Low-concentration atropine nanoemulsion and preparation method and application thereof 沈阳药科大学 2023-05-23 CN claimed
US-11505737-B2 Compositions and methods for controlling strong acid systems SAUDI ARABIAN OIL COMPANY (SA) 2022-11-22 US claimed
US-20050019365-A1 Bioactive surface layer, particularly for medical implants and prostheses DEPUY SPINE, LLC 2005-01-27 US claimed
EP-1372749-B1 BIOACTIVE SURFACE LAYER, PARTICULARLY FOR MEDICAL IMPLANTS AND PROSTHESES STRATEC MEDICAL AG (CH) 2004-10-06 EP claimed
EP-0367223-B1 Chelants possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1995-04-26 EP claimed
EP-0367223-A2 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (US) 1990-05-09 EP claimed
US-4460682-A NONDIFFUSING COBALT(III) COMPLEX KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-07-17 US claimed
JP-8109123-A None JP disclosed
EP-4153697-B1 SALT OF MONOCHLOROACETIC ACID WITH ACID FOR DELAYED ACIDIFICATION IN THE OIL FIELD INDUSTRY NOURYON CHEMICALS INT BV (NL) 2025-09-03 EP disclosed
CN-116438155-B Production of nitrile Compound 诺力昂化学品国际有限公司 2025-06-13 CN disclosed
EP-4153696-B1 ACIDIZING TREATMENT FLUID FOR DELAYED ACIDIFICATION IN THE OIL FIELD INDUSTRY NOURYON CHEMICALS INT BV (NL) 2025-01-01 EP disclosed
US-20240132444-A1 MANUFACTURE OF NITRILE COMPOUNDS NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2024-04-25 US disclosed
CN-117917989-A Use of a reversible metal electrodeposited electrolyte with pH-adjustable, dynamic glass element with high opacity and excellent rest stability, and electrolyte useful therefor 代表内华达大学雷诺分校的内华达高等教育系统董事会 2024-04-23 CN disclosed
WO-1999010017-A1 CHELATORS IN COMBINATION WITH BIOCIDES: TREATMENT OF MICROBIALLY INDUCED BIOFILM AND CORROSION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-03-04 WO disclosed
CN-1122825-A Cleanser composition KAO CORP (JP) 1996-05-22 CN disclosed
JP-H08109123-A DETERGENT COMPOSITION KAO CORP 1996-04-30 JP disclosed
CN-1062757-A The washing composition that contains alkyl-sulphate and polyhydroxy fatty acid amide surfactants PROCTER & GAMBLE (US) 1992-07-15 CN disclosed
EP-0367223-A2 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (US) 1990-05-09 EP disclosed
US-4578162-A Method for dissolving copper in the presence of iron THE DOW CHEMICAL COMPANY (US) 1986-03-25 US disclosed
US-4460682-A NONDIFFUSING COBALT(III) COMPLEX KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-07-17 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 (1 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-20240132444-A1 MANUFACTURE OF NITRILE COMPOUNDS NCLN, NCL, HNMT CA2 3256/4885LMNA 404/4885CA12 3175/4885

“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.