Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5361377

COc1ccc(N)cc1OC.N

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
MAPT P10636 4/20 0.64
GAA P10253 2/20 0.64
TSHR P16473 4/20 0.59
MAPK1 P28482 2/20 0.59
HTT P42858 1/20 0.59
CYP19A1 P11511 3/20 0.59
NR4A1 P22736 1/20 0.57
ALDH1A1 P00352 6/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.53
CA2 P00918 2/20 0.52
ACHE P22303 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ATM Q13315 1/20 0.52
NR3C1 P04150 1/20 0.48

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
SCHEMBL2438047 0.97 KDM4E (0.67) KDM4EMAPTGAATSHRMAPK1
SCHEMBL29377777 0.97 KDM4E (0.67) KDM4EMAPTGAATSHRMAPK1
SCHEMBL77823 0.97 KDM4E (0.67) KDM4EMAPTGAATSHRMAPK1
Hydrochloric Acid SCHEMBL2479850 0.95 MAPT (0.70) KDM4EMAPTGAATSHRMAPK1
Methane SCHEMBL27340305 0.95 KDM4E (0.64) KDM4EMAPTGAATSHRMAPK1
Hydroxyamine SCHEMBL4369811 0.93 KDM4E (0.62) KDM4EMAPTGAATSHRMAPK1
SCHEMBL27479772 0.87 KDM4E (0.56) KDM4EMAPTGAATSHRMAPK1
Ethylene Glycol SCHEMBL10464978 0.87 KDM4E (0.61) KDM4EMAPTGAATSHRMAPK1
SCHEMBL8526532 0.87 TDP1 (0.67) KDM4EMAPTGAATSHRMAPK1
Formic Acid Methyl Ester SCHEMBL28215674 0.85 KDM4E (0.55) KDM4EMAPTGAATSHRMAPK1

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 KDM4E 67/4885MAPT 3848/4885GAA 569/4885

“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.