SCHEMBL3610084

SCHEMBL3610084

OCCCc1ccc2nccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ECE2 P0DPD6 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
P2RY12 Q9H244 2/20 0.43
SHMT2 P34897 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
EPHX2 P34913 2/20 0.39
LTA4H P09960 1/20 0.39
CA2 P00918 1/20 0.38
NOTUM Q6P988 1/20 0.37
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL5155836 0.88 KDM4E (0.47) KDM4EECE2SHMT2NPC1RAB9A
SCHEMBL31287242 0.88 KDM4E (0.47) KDM4EECE2SHMT2NPC1RAB9A
SCHEMBL4280865 0.81 ECE2 (0.41) KDM4EECE2SHMT2NPC1RAB9A
SCHEMBL6763074 0.79 ECE2 (0.49) KDM4EECE2SHMT2NPC1RAB9A
Bromide SCHEMBL4280985 0.79 ECE2 (0.40) KDM4EECE2SHMT2NPC1RAB9A
SCHEMBL3809978 0.79 ECE2 (0.40) KDM4EECE2PDE3BPDE3AP2RY12
SCHEMBL6360170 0.79 ALDH1A1 (0.51) PDE3BPDE3AP2RY12RAB9AEPHX2
SCHEMBL3158800 0.79 DAO (0.51) KDM4EPDE3BPDE3AP2RY12NPC1
SCHEMBL6347222 0.78 ESR1 (0.47) KDM4ERAB9AALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL9196645 0.78 ECE2 (0.47) KDM4EECE2SHMT2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 US disclosed
US-7715455-B2 Solar light pumped laser and cooling method of solar light pumped laser TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-05-11 US disclosed
US-20100094002-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. 2010-04-15 US disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
US-20080225912-A1 Solar Light Pumped Laser and Cooling Method of Solar Light Pumped Laser TOKYO INSTITUTE OF TECHNOLOGY (JP) 2008-09-18 US disclosed
EP-1860747-A1 SOLAR LIGHT PUMPED LASER AND COOLING SYSTEM OF SOLAR LIGHT PUMPED LASER TOKYO INSTITUTE OF TECHNOLOGY (JP) 2007-11-28 EP disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 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-20100094002-A1 Thiazole Compound and Use Thereof PDE3B, IL4, PDE4A KDM4E 2320/4885ECE2 412/4885PDE3B 1/4885

“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.