Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4461425

CCCC(CC)c1cc(C)ccc1S(=O)(=O)O.N

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
POLB P06746 2/20 0.32
PDE5A O76074 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEP1B Q16820 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
ELAVL1 Q15717 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9541748 0.98 CA12 (0.35) CA12CA2CA9RAPGEF4POLB
SCHEMBL9541772 0.92 CA12 (0.36) CA12CA2CA9RAPGEF4POLB
SCHEMBL9544567 0.89 RAPGEF4 (0.37) RAPGEF4POLBGAAL3MBTL1MEP1B
SCHEMBL419551 0.85 NR3C1 (0.33) CA12CA2CA9RAPGEF4POLB
SCHEMBL419521 0.85 NR3C1 (0.33) CA12CA2CA9RAPGEF4POLB
SCHEMBL8971717 0.82 CA12 (0.42) CA12CA2CA9RAPGEF4POLB
SCHEMBL8470868 0.82 PDE5A (0.44) CA12CA2CA9RAPGEF4POLB
SCHEMBL10771314 0.82 CA12 (0.42) CA12CA2CA9RAPGEF4POLB
SCHEMBL30667042 0.81 NR3C1 (0.36) RAPGEF4POLBGAAL3MBTL1MEP1B
SCHEMBL30666808 0.81 NR3C1 (0.36) RAPGEF4POLBGAAL3MBTL1MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991526-B1 Tetracyclic indole derivatives as in vivo imaging agents and having peripheralbenzodiazepine receptor affinity (PBR) HAMMERSMITH IMANET LTD (GB) 2014-02-12 EP disclosed
US-8506932-B2 Tetracyclic indole derivatives as in vivo imaging agents and having peripheralbenzodiazepine receptor affinity (PBR) HAMMERSMITH IMANET LIMITED (GB) 2013-08-13 US disclosed
US-20090220420-A1 TETRACYCLIC INDOLE DERIVATIVES AS IN VIVO IMAGING AGENTS AND HAVING PERIPHERALBENZODIAZEPINE RECEPTOR AFFINITY (PBR) GE HEALTHCARE LIMITED (GB) 2009-09-03 US disclosed
EP-1991526-A1 TETRACYCLIC INDOLE DERIVATIVES AS IN VIVO IMAGING AGENTS AND HAVING PERIPHERALBENZODIAZEPINE RECEPTOR AFFINITY (PBR) Hammersmith Imanet, Ltd (GB) 2008-11-19 EP disclosed
WO-2007057705-A1 TETRACYCLIC INDOLE DERIVATIVES AS IN VIVO IMAGING AGENTS AND HAVING PERIPHERALBENZODIAZEPINE RECEPTOR AFFINITY (PBR) HAMMERSMITH IMANET LIMITED (GB) 2007-05-24 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-20090220420-A1 TETRACYCLIC INDOLE DERIVATIVES AS IN VIVO IMAGING AGENTS AND HAVING PERIPHERALBENZODIAZEPINE RECEPTOR AFFINITY (PBR) KIT, CNR1, CNR2 CA12 3098/4885CA2 1962/4885CA9 2558/4885

“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.