SCHEMBL2677860

SCHEMBL2677860

O=C(N=NC(=O)N1CCCC1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ATM Q13315 1/20 0.42
HPGD P15428 6/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
CA2 P00918 2/20 0.39
CHKA P35790 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 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
SCHEMBL8951223 1.00 ALDH1A1 (0.48) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL103468 0.97 ALDH1A1 (0.52) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL12367675 0.97 ALDH1A1 (0.52) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL10791 0.97 ALDH1A1 (0.52) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL28463998 0.87 ALDH1A1 (0.48) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL12489264 0.86 ALDH1A1 (0.48) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL13448727 0.83 ALDH1A1 (0.41) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL12802471 0.81
Diamide SCHEMBL7203941 0.80 ALDH1A1 (0.52) ALDH1A1HPGDMMP1MMP2MMP3
Diamide SCHEMBL7203943 0.80 ALDH1A1 (0.52) ALDH1A1HPGDMMP1MMP2MMP3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5539102-A ANTIBIOTIC SYNTHESIS BY DEHYDRATION REACTION OF ALCOHOL WITH OXYCARBONYLSULFAMIDE IN THE PRESENCE OF TRIVALENT PHOSPHOROUS SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1996-07-23 US claimed
EP-3129449-B1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS SHELL INT RESEARCH (NL) 2018-03-28 EP disclosed
US-9862905-B2 Diesel fuel with improved ignition characteristics SHELL OIL COMPANY (US) 2018-01-09 US disclosed
EP-3129449-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS Shell Internationale Research Maatschappij B.V. (NL) 2017-02-15 EP disclosed
WO-2015157207-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS SHELL OIL COMPANY (US) 2015-10-15 WO disclosed
US-20150284652-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS SHELL OIL COMPANY 2015-10-08 US disclosed
US-8173824-B2 Process for producing vitamin D derivative using convergent method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-26 US disclosed
EP-1955999-A1 METHOD FOR PRODUCING VITAMIN D DERIVATIVE BY USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-08-13 EP disclosed
EP-0557122-B1 A production method for sulfamide SHIONOGI & CO (JP) 1997-01-15 EP disclosed
US-5539102-A ANTIBIOTIC SYNTHESIS BY DEHYDRATION REACTION OF ALCOHOL WITH OXYCARBONYLSULFAMIDE IN THE PRESENCE OF TRIVALENT PHOSPHOROUS SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1996-07-23 US disclosed
EP-0557122-A1 A production method for sulfamide SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-08-25 EP 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-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CYP2R1, CYP24A1, VDR ALDH1A1 339/4885ATM 4463/4885HPGD 90/4885

“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.