Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3073202

COc1ccc(-c2ccc(CCCC(N)c3nsc4ccc(Br)cc34)cc2)cc1.N

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
LSS P48449 3/20 0.33
AOC3 Q16853 2/20 0.33
EGFR P00533 1/20 0.33
FLT1 P17948 1/20 0.33
SYK P43405 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL2967902 0.84 MAPK1 (0.39) MEN1KMT2A
SCHEMBL2969499 0.74 CYP2A6 (0.40)
SCHEMBL2972698 0.71 MAPK1 (0.43) MEN1KMT2A
SCHEMBL3073200 0.69 MAOB (0.38) MAOBMEN1KMT2ASYKGABRP
SCHEMBL2977372 0.69 SMPD1 (0.43) MEN1KMT2A
SCHEMBL13202773 0.68 CHRM2 (0.43) MEN1KMT2AEGFRSYK
SCHEMBL8481582 0.66 LSS (0.55) MEN1KMT2ALSSGABRPGABRD
SCHEMBL21131516 0.64 MAOB (0.50) MAOBMEN1KMT2A
SCHEMBL10747789 0.64 MAOB (0.53) MAOBCASP3SENP8SENP7SENP6
SCHEMBL10747795 0.64 MAOB (0.53) MAOBCASP3SENP8SENP7SENP6

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-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS MAOB 990/4885MEN1 4684/4885KMT2A 2900/4885

“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.