Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2187101

N.O=CC1CCCCC1=O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
KMT2A Q03164 1/20 0.43
TLR4 O00206 1/20 0.35
MCL1 Q07820 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA6 P23280 2/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2487746 0.98
SCHEMBL927321 0.95 KMT2A (0.48) CA1CA2CA4KMT2ATLR4
SCHEMBL7911393 0.95 KMT2A (0.48) CA1CA2CA4KMT2ATLR4
SCHEMBL1325684 0.90
Sulfurous Acid SCHEMBL8579288 0.86 CA1 (0.38) CA1CA2CA4KMT2ATLR4
SCHEMBL17656247 0.84 KMT2A (0.39) CA1CA2CA4KMT2ATLR4
SCHEMBL17656195 0.84 KMT2A (0.39) CA1CA2CA4KMT2ATLR4
SCHEMBL3628061 0.79
Acetic Acid SCHEMBL15703783 0.79 CREBBP (0.36) CA1CA2CA4KMT2AMCL1
SCHEMBL19513384 0.76

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-1831167-B1 LIQUID PHASE PROCESS FOR THE SYNTHESIS OF ANNULATED PYRIDINES OVER ZEOLITE TYPE MOLECULAR SIEVE CATALYSTS COUNCIL SCIENT IND RES (IN) 2011-07-13 EP disclosed
US-7491828-B2 Liquid phase process for the synthesis of annulated pyridines over molecular sieve catalysts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-02-17 US disclosed
US-20060149068-A1 Liquid phase process for the synthesis of annulated pyridines over molecular sieve catalysts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-06 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-20060149068-A1 Liquid phase process for the synthesis of annulated pyridines over molecular sieve catalysts AURKA, CDK4, SKP2 CA1 1966/4885CA2 2530/4885CA4 1113/4885

“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.