SCHEMBL3840404

SCHEMBL3840404

O=C(O)n1nnc2ccccc21.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.69
MGAM O43451 9/20 0.69
AMY1A P0DUB6 9/20 0.69
SI P14410 9/20 0.69
MGAM2 Q2M2H8 9/20 0.69
KMT2A Q03164 3/20 0.69
F2 P00734 2/20 0.69
HPGD P15428 1/20 0.69
SLC9A1 P19634 1/20 0.69
DGAT1 O75907 1/20 0.61
KCNMA1 Q12791 1/20 0.58
F12 P00748 6/20 0.57
FAAH O00519 1/20 0.55
MGLL Q99685 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MIF P14174 1/20 0.53

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
SCHEMBL170673 0.98 GAA (0.71) GAAMGAMAMY1ASIMGAM2
Ammonia Solution, Strong SCHEMBL3505685 0.96 GAA (0.69) GAAMGAMAMY1ASIMGAM2
Water SCHEMBL27547496 0.96 GAA (0.69) GAAMGAMAMY1ASIMGAM2
Hydrochloric Acid SCHEMBL10363645 0.96 GAA (0.69) GAAMGAMAMY1ASIMGAM2
Methyl Alcohol SCHEMBL28226904 0.94 GAA (0.67) GAAMGAMAMY1ASIMGAM2
Malonic Acid SCHEMBL8211367 0.90 GAA (0.61) GAAMGAMAMY1ASIMGAM2
Allyl Alcohol SCHEMBL28517173 0.85 GAA (0.56) GAAMGAMAMY1ASIMGAM2
SCHEMBL7516240 0.84 GAA (0.55) GAAMGAMAMY1ASIMGAM2
Benzotriazole SCHEMBL5506516 0.84 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.84 MGAM (0.68) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524257-B1 Process for production of carboxylic acid aryl esters JOHOKU CHEMICAL CO LTD (JP) 2009-11-04 EP disclosed
EP-1174413-B1 Process for production of carboxylic acid aryl esters JOHOKU CHEMICAL CO LTD (JP) 2005-11-02 EP disclosed
EP-1524257-A1 Process for production of carboxylic acid aryl esters Johoku Chemical Co., Ltd. (JP) 2005-04-20 EP disclosed
EP-1524258-A1 Process for production of carboxylic acid aryl esters Johoku Chemical Co., Ltd. (JP) 2005-04-20 EP disclosed
US-6495712-B2 REACTING A CARBOXYLIC ACID WITH (DI OR TRI)ARYL PHOSPHITE JOHOKU CHEMICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020013491-A1 Process for production of carboxylic acid aryl esters JOHOKU CHEMICAL CO., LTD. (JP) 2002-01-31 US disclosed
EP-1174413-A2 Process for production of carboxylic acid aryl esters Johoku Chemical Co., Ltd. (JP) 2002-01-23 EP 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-20020013491-A1 Process for production of carboxylic acid aryl esters GNPAT, AADAC, NAAA GAA 733/4885MGAM 1581/4885AMY1A 4097/4885

“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.