SCHEMBL7068892

SCHEMBL7068892

CCOC(=O)C(C)c1nc2cc(O)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
ALOX5 P09917 5/20 0.42
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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
SCHEMBL7485295 0.82 ALDH1A1 (0.70) GAAKMT2AALDH1A1HPGDHSD17B10
SCHEMBL7069781 0.79 KMT2A (0.49) GAAKMT2AALDH1A1HPGDMEN1
SCHEMBL24076512 0.77 HSD17B10 (0.57) KMT2AALDH1A1HPGDMEN1HTT
SCHEMBL7430577 0.76 SMN1; SMN2 (0.58) GAAKMT2AALDH1A1HPGDMEN1
SCHEMBL853412 0.76 GAA (0.46) GAAKMT2AALDH1A1HPGDALOX5
SCHEMBL31716553 0.75 ALDH1A1 (0.45) GAAKMT2AALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL7430563 0.75 SMN1; SMN2 (0.57) GAAKMT2AALDH1A1HPGDMEN1
SCHEMBL5110077 0.74 KDM4E (0.42) ALDH1A1HPGDHTTHSD17B10KDM4E
SCHEMBL1391129 0.74 L3MBTL1 (0.46) KMT2AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL9142106 0.72 PTGS2 (0.53) GAAKMT2AALDH1A1HPGDALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 GAA 69/4885KMT2A 3958/4885ALDH1A1 1860/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 GAA 181/4885KMT2A 3040/4885ALDH1A1 729/4885

“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.