SCHEMBL242843

SCHEMBL242843

O=C(NCc1ccccc1O)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
KCNA5 P22460 1/20 0.50
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
FAAH O00519 1/20 0.48
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
PKM P14618 1/20 0.45
EPHX1 P07099 1/20 0.45
MAPK8 P45983 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL28335753 0.82 ALDH1A1 (0.59) HSD17B10NPC1RAB9AALDH1A1HTT
SCHEMBL4677107 0.82 MEN1 (0.58) HSD17B10NPC1RAB9AALDH1A1HTT
SCHEMBL241820 0.80 HSD17B10 (0.49) HSD17B10NPC1RAB9AALDH1A1HTT
SCHEMBL8122573 0.80 POLB (0.63) NPC1RAB9AALDH1A1HTTHPGD
SCHEMBL5108159 0.79 NPC1 (0.69) HSD17B10NPC1RAB9AALDH1A1HTT
SCHEMBL4839587 0.78 TSHR (0.59) HSD17B10ALDH1A1HTTHIF1ACYP2D6
SCHEMBL27703430 0.78 LMNA (0.56) HTTKCNA5CA12CA2PKM
SCHEMBL4237017 0.77 KCNA5 (0.67) HSD17B10NPC1RAB9AALDH1A1HTT
SCHEMBL1833771 0.77 HSD17B10 (0.58) HSD17B10NPC1RAB9AALDH1A1HTT
SCHEMBL7538476 0.77 TSHR (0.48) HSD17B10ALDH1A1HTTHIF1ACYP2D6

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 HSD17B10 473/4885NPC1 154/4885RAB9A 2007/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HSD17B10 473/4885NPC1 154/4885RAB9A 2007/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HSD17B10 473/4885NPC1 154/4885RAB9A 2007/4885

“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.