SCHEMBL4303602

SCHEMBL4303602

C=C(C)C(=O)Nc1cccc(Nc2nc(NN)nc(Nc3cccc(Nc4cc(S(=O)(=O)O)c(N)c5c4C(=O)c4ccccc4C5=O)c3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.58
GNB1 P62873 5/20 0.58
PHLPP2 Q6ZVD8 2/20 0.58
CHAT P28329 4/20 0.57
ENPP3 O14638 1/20 0.57
ENPP1 P22413 1/20 0.57
P2RY4 P51582 6/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
HPGDS O60760 1/20 0.54
USP2 O75604 1/20 0.54
APEX1 P27695 1/20 0.54

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
SCHEMBL4298127 0.93 CHAT (0.67) GNG2GNB1PHLPP2CHATENPP3
SCHEMBL373603 0.91 GNG2 (0.69) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL7755289 0.82 CHAT (0.76) GNG2GNB1PHLPP2CHATENPP3
SCHEMBL8402397 0.82 PHLPP2 (0.84) GNG2GNB1PHLPP2CHATENPP3
SCHEMBL1592192 0.81 PHLPP2 (0.67) GNG2GNB1PHLPP2CHATENPP3
SCHEMBL11311121 0.81 PHLPP2 (0.82) GNG2GNB1PHLPP2CHATENPP3
SCHEMBL25220147 0.79 P2RY4 (0.80) GNG2GNB1PHLPP2CHATENPP3
SCHEMBL30392069 0.79 P2RY4 (0.80) GNG2GNB1PHLPP2CHATENPP3
SCHEMBL374031 0.78 PHLPP2 (0.55) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL14379194 0.78 GNG2 (0.70) GNG2GNB1PHLPP2P2RY4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163650-A1 POLYMER MATERIAL MENICON CO., LTD. (JP) 2021-06-03 US disclosed
EP-3822296-A1 POLYMER MATERIAL Menicon Co., Ltd. (JP) 2021-05-19 EP disclosed
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS MENICON CO., LTD. (JP) 2013-08-08 US disclosed
EP-2581394-A1 IONIC COMPOUND, COMPOSITION, CURED PRODUCT, HYDROGEL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-04-17 EP disclosed
EP-1696257-B1 CONTACT LENS MATERIAL MENICON CO LTD (JP) 2012-11-21 EP disclosed
US-20090247662-A1 Contact Lens Material MATSUMOTO MASAHIRO 2009-10-01 US disclosed
EP-1033590-B1 Ocular lens material MENICON CO LTD (JP) 2008-05-07 EP disclosed
US-20070149699-A1 Contact lens material MENICON CO., LTD. (JP) 2007-06-28 US disclosed
EP-1696257-A1 CONTACT LENS MATERIAL MENICON CO., LTD. (JP) 2006-08-30 EP disclosed
US-6329445-B1 Ocular lens material MENICON CO., LTD (JP) 2001-12-11 US disclosed
EP-1033590-A2 Ocular lens material Menicon Co., Ltd. (JP) 2000-09-06 EP disclosed
EP-0947856-A2 Ocular lens material Menicon Co., Ltd. (JP) 1999-10-06 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-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS CRYZ, CRYAA, VIL1 GNG2 1251/4885GNB1 1242/4885PHLPP2 1459/4885

“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.