SCHEMBL1098519

SCHEMBL1098519

COc1cc(CO)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 5/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
MPO P05164 1/20 0.35
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL1098570 0.89 ALDH1A1 (0.43) RAB9ANPC1HTTLMNAPOLB
SCHEMBL9408768 0.88 NPC1 (0.45) RAB9ANPC1HTTLMNAPOLB
SCHEMBL1099556 0.87 NPC1 (0.42) RAB9ANPC1LMNAPOLBKDM4E
SCHEMBL1100125 0.86 NPC1 (0.39) RAB9ANPC1LMNAPOLBKDM4E
SCHEMBL1100175 0.86 KDM4E (0.35) RAB9ANPC1HTTLMNAKDM4E
SCHEMBL28547204 0.85 IDH1 (0.44) RAB9ANPC1HTTLMNAPOLB
SCHEMBL1100542 0.83 CACNA1D (0.38) KDM4E
SCHEMBL2146554 0.81 NPC1 (0.64) RAB9ANPC1LMNAPOLBKDM4E
SCHEMBL13808306 0.81 NPC1 (0.49) RAB9ANPC1HTTLMNAPOLB
SCHEMBL1100484 0.79 NPC1 (0.38) RAB9ANPC1HTTLMNAPOLB

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
CN-102203072-B Uv/visible light absorbers for ophthalmic lens materials ALCON INC 2014-08-13 CN disclosed
EP-2346840-B1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2013-12-25 EP disclosed
US-8232326-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20120142877-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-8153703-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-04-10 US disclosed
CN-102203072-A Uv/visible light absorbers for ophthalmic lens materials ALCON INC 2011-09-28 CN disclosed
EP-2346840-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS Alcon, Inc. (CH) 2011-07-27 EP disclosed
WO-2010053917-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-05-14 WO disclosed
US-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-05-06 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-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS UACA, CRYZ, CRYAA RAB9A 4701/4885NPC1 3813/4885HTT 581/4885

“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.