SCHEMBL2918702

SCHEMBL2918702

CCOC(=O)NNC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 3/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
MAPK1 P28482 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
P2RX7 Q99572 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL344303 0.91 NPC1 (0.59) GAANPC1RAB9AALDH1A1CA12
SCHEMBL2295789 0.90 CA12 (0.66) GAANPC1RAB9AALDH1A1CA12
SCHEMBL27880557 0.89 CA12 (0.60) GAANPC1RAB9AALDH1A1CA12
SCHEMBL12885293 0.86 GAA (0.53) GAANPC1RAB9AALDH1A1CA12
SCHEMBL26357994 0.86 CA12 (0.58) GAANPC1RAB9AALDH1A1CA12
SCHEMBL260404 0.85 NAAA (0.52) GAANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28954497 0.85 ALDH1A1 (0.63) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL11651843 0.85 CA12 (0.60) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL10774197 0.84 ALDH1A1 (0.53) GAANPC1RAB9AALDH1A1CA12
SCHEMBL14645237 0.84 HTT (0.60) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 GAA 3552/4885NPC1 2175/4885RAB9A 4417/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 GAA 3879/4885NPC1 2105/4885RAB9A 3074/4885

“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.