SCHEMBL1053233

SCHEMBL1053233

O=C(Oc1ccccc1)N1CC(O)C(O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
MGLL Q99685 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
CHRNA7 P36544 1/20 0.47
HTR3A P46098 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL28217739 0.89 NPC1 (0.62) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL25318113 0.84 GAA (0.57) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL28114044 0.84 GAA (0.57) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL4636570 0.81 GAA (0.54) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL11882343 0.80 MGLL (0.72) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL5871961 0.80 NPC1 (0.73) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL27540830 0.80 NPC1 (0.73) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL6877183 0.80 NPC1 (0.73) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL6880743 0.79 NPC1 (0.88) GAANPC1RAB9AMGLLSMN1; SMN2
SCHEMBL1587673 0.78 GAA (0.59) GAANPC1RAB9AMGLLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 US disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 US disclosed
CN-100503608-C Deazapurines and their use EISAI CO LTD (JP) 2009-06-24 CN disclosed
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 EP disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 US disclosed
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 EP disclosed
CN-1630657-A Deazapurines and their use EISAI CO LTD (JP) 2005-06-22 CN disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 US disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 US disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 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 (4 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 GAA 4023/4885NPC1 4720/4885RAB9A 2110/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 GAA 3995/4885NPC1 4725/4885RAB9A 2131/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 GAA 592/4885NPC1 3612/4885RAB9A 2454/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP GAA 3428/4885NPC1 3376/4885RAB9A 998/4885

“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.