SCHEMBL1099103

SCHEMBL1099103

C(=C[n+]1ccccc1)c1ccccc1.[N-]=[N+]=[N-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.42
MAOB P27338 2/20 0.41
NFE2L2 Q16236 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL716198 0.91 CHAT (0.48) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL336379 0.91 CHAT (0.48) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL29260334 0.89 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4035927 0.89 CHAT (0.46) CHATMAOBNFE2L2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5873690 0.89 CHAT (0.46) CHATMAOBNFE2L2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5873693 0.89 CHAT (0.46) CHATMAOBNFE2L2ALDH1A1LMNA
Formaldehyde SCHEMBL8647913 0.85 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL6406091 0.85 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL6406093 0.85 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
Formaldehyde SCHEMBL8647908 0.85 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772048-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2014-07-08 US disclosed
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-26 US disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 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 (2 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-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS MPI, ACR, PFAS CHAT 1592/4885MAOB 262/4885NFE2L2 4233/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS CHAT 1592/4885MAOB 262/4885NFE2L2 4233/4885

“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.