SCHEMBL14285709

SCHEMBL14285709

[N-]=[N+]=NCCNC(=O)CCCNN

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.32
FAAH O00519 3/20 0.32
TPSAB1 Q15661 1/20 0.31
CASP2 P42575 1/20 0.31
DNM1 Q05193 1/20 0.30
CA1 P00915 1/20 0.30
HPSE Q9Y251 2/20 0.30

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
SCHEMBL16447056 0.81 FAAH (0.43) CA2CA9TSHRFAAHCASP2
SCHEMBL20275340 0.81 TSHR (0.44) TSHR
SCHEMBL14285708 0.80 CA2 (0.36) CA2CA9
SCHEMBL22508710 0.79 EPHX2 (0.45) TSHRFAAH
SCHEMBL13655533 0.78 FAAH (0.57) FAAHCASP2DNM1
SCHEMBL13655575 0.78 FAAH (0.57) FAAHCASP2DNM1
SCHEMBL13655544 0.78 FAAH (0.57) FAAHCASP2DNM1
SCHEMBL13655546 0.78 FAAH (0.57) FAAHCASP2DNM1
SCHEMBL18845128 0.77 HDAC3 (0.36) CA2CA9CA1
SCHEMBL18845127 0.77 CASP2 (0.50) FAAHCASP2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242058-B2 Reagents and methods for appending functional groups to proteins WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-08-14 US disclosed
US-20080020942-A1 Reagents and Methods for Appending Functional Groups to Proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 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-20080020942-A1 Reagents and Methods for Appending Functional Groups to Proteins PTMS, MTPN, FGB CA2 3977/4885CA9 4576/4885TSHR 303/4885

“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.