SCHEMBL2675174

SCHEMBL2675174

C=Cc1[nH]ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 5/20 0.34
CYP3A4 P08684 4/20 0.34
TSHR P16473 4/20 0.34
ALOX15 P16050 2/20 0.34
GPR35 Q9HC97 1/20 0.33
HSD17B10 Q99714 2/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIM1 P11309 1/20 0.32
CASP6 P55212 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
GRIK1 P39086 1/20 0.31

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
SCHEMBL5410484 0.82 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4ALOX15GPR35
SCHEMBL2890666 0.73 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL9015211 0.70 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL3244132 0.69 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL11171147 0.68 HCAR3 (0.46) ALDH1A1TDP1CYP3A4L3MBTL1KDM4E
SCHEMBL1774516 0.68
SCHEMBL12778730 0.68
SCHEMBL31472833 0.68
SCHEMBL10333382 0.68 ALDH1A1 (0.42) ALDH1A1TDP1ALOX15GRIN2DGRIN3B
SCHEMBL1545421 0.65 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173691-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-08 US disclosed
US-7633007-B2 Self-assembled photosynthesis-inspired light harvesting material and solar cells containing the same NORTH CAROLINA STATE UNIVERSITY (US) 2009-12-15 US disclosed
US-20090191130-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-30 US disclosed
WO-2008018982-A2 SELF-ASSEMBLED PHOTOSYNTHESIS-INSPIRED LIGHT HARVESTING MATERIAL AND SOLAR CELLS CONTAINING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2008-02-14 WO disclosed
US-20080029155-A1 SELF-ASSEMBLED PHOTOSYNTHESIS-INSPIRED LIGHT HARVESTING MATERIAL AND SOLAR CELLS CONTAINING THE SAME ENERGY, UNITED STATES DEPARTMENT OF 2008-02-07 US disclosed
EP-1848778-A2 DE NOVO SYNTHESIS OF BACTERIOCHLORINS North Carolina State University (US) 2007-10-31 EP disclosed
WO-2006089122-A2 DE NOVO SYNTHESIS OF BACTERIOCHLORINS NORTH CAROLINA STATE UNIVERSITY (US) 2006-08-24 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 (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-20090191130-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD ALDH1A1 263/4885TDP1 2410/4885CYP3A4 3866/4885

“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.