SCHEMBL8972077

SCHEMBL8972077

CC(=O)CC(C)(C)C(Cc1cc(Br)cn1S(=O)(=O)c1ccc(C)cc1)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
ALOX5 P09917 1/20 0.30
ALK Q9UM73 1/20 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
SCHEMBL21433771 0.88 ALOX5 (0.32) CA1CA2RAPGEF4ALDH1A1KMT2A
SCHEMBL12849436 0.84 CA1 (0.34) CA1CA2RAPGEF4MEN1ALDH1A1
SCHEMBL4170912 0.83 RAPGEF4 (0.50) CA1CA2RAPGEF4MEN1ALDH1A1
SCHEMBL21433773 0.73 ALOX5 (0.35) ALOX5
SCHEMBL12697303 0.72 RAPGEF4 (0.34) CA1CA2RAPGEF4MEN1ALDH1A1
SCHEMBL21433767 0.72 ALDH1A1 (0.33) MEN1ALDH1A1KMT2AL3MBTL1ALOX5
SCHEMBL4170873 0.72 CA1 (0.41) CA1CA2RAPGEF4THRBL3MBTL1
SCHEMBL15754560 0.71 CA1 (0.35) CA1CA2ALOX5
SCHEMBL28649703 0.68 CA1 (0.44) CA1CA2RAPGEF4ALDH1A1THRB
SCHEMBL30625972 0.67 CA1 (0.43) CA1CA2RAPGEF4ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959293-B1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC (US) 2024-11-13 EP disclosed
US-20220249707-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC. (US) 2022-08-11 US disclosed
EP-3959293-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRvana Sciences Inc. (US) 2022-03-02 EP disclosed
WO-2020236818-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC. (US) 2020-11-26 WO disclosed
US-9417245-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2016-08-16 US disclosed
US-9417245-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2016-08-16 US disclosed
US-20150153350-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-20150153350-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-8980565-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-8980565-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 US disclosed
US-8207329-B2 Synthesis of chlorins and phorbines with enhanced red spectral features NORTH CAROLINA STATE UNIVERSITY (US) 2012-06-26 US disclosed
US-8207329-B2 Synthesis of chlorins and phorbines with enhanced red spectral features NORTH CAROLINA STATE UNIVERSITY (US) 2012-06-26 US disclosed
US-8187824-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-8187824-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
WO-2007064842-A2 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO 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 (3 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-20220249707-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME AQP4, CLSPN, CHLSN CA1 165/4885CA2 835/4885RAPGEF4 3752/4885
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, HCCS CA1 2283/4885CA2 231/4885RAPGEF4 2368/4885
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, QDPR CA1 2250/4885CA2 253/4885RAPGEF4 2241/4885

“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.