Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL20660436

COc1cccc2sc(N)nc12.N

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.97
CYP3A4 P08684 1/20 0.97
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
GAA P10253 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
PDPK1 O15530 1/20 0.54
PDE10A Q9Y233 1/20 0.54
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
HPGD P15428 3/20 0.52
TP53 P04637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
DYRK1A Q13627 1/20 0.52

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
SCHEMBL624781 0.98 TDP1 (1.00) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL31650393 0.84 TDP1 (0.74) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL18273020 0.81 CYP3A4 (0.69) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL3455462 0.80 TDP1 (0.69) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL3072555 0.79 ALDH1A1 (0.67) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL3123406 0.79 ALDH1A1 (0.67) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL5730270 0.79 ALDH1A1 (0.67) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL7530942 0.78 TDP1 (0.62) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL2209697 0.77 ALDH1A1 (0.65) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL2000543 0.77 ALDH1A1 (1.00) TDP1CYP3A4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270240-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-08-27 US disclosed
EP-3654975-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS Icahn School of Medicine at Mount Sinai (US) 2020-05-27 EP disclosed
WO-2019018718-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-01-24 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-20200270240-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS SUMO2, ATP2A2, ATP2A1 TDP1 3699/4885CYP3A4 1218/4885ALDH1A1 3082/4885

“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.