SCHEMBL315739

SCHEMBL315739

CCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.56
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 3/20 0.55
CYP2C9 P11712 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
GFER P55789 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
SCHEMBL6944694 0.91 SMN1; SMN2 (0.56) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL5085665 0.88 MAPK1 (0.56) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL6948261 0.87 HSD17B10 (0.55) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL4445208 0.86 PDE4A (0.54) HSD17B10HPGDCYP2C9KDM4ETSHR
SCHEMBL19013585 0.86 KDM4E (0.55) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL8459209 0.83 GAA (0.48) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL11290176 0.83 KDM4E (0.59) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL8803669 0.82 MAPK1 (0.51) HSD17B10L3MBTL1HPGDCYP2C9SMN1; SMN2
SCHEMBL515910 0.82 GAA (0.53) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL515834 0.82 KDM4E (0.54) HSD17B10GAAL3MBTL1HPGDCYP2C9

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193201-B2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS, LLC (US) 2012-06-05 US claimed
US-20110172253-A1 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2011-07-14 US claimed
EP-2338481-A2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines Metaproteomics, LLC (US) 2011-06-29 EP claimed
US-7914831-B2 Alpha acids, isoalpha acids, reduced isoalpha acids, tetra-hydroisoalpha acids, hexa-hydroisoalpha acids, beta acids from hops; nontoxic METAPROTEOMICS, LLC (US) 2011-03-29 US claimed
US-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2007-08-09 US claimed
EP-1718312-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES Metaproteomics, LLC (US) 2006-11-08 EP claimed
WO-2005084230-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2005-09-15 WO claimed
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2005-09-01 US claimed
CN-111358787-B Application of heterocyclic compound in preparation of medicine for treating pneumonia 四川大学华西医院 2021-03-02 CN disclosed
CN-111358787-A Application of heterocyclic compound in preparation of medicine for treating pneumonia 四川大学华西医院 2020-07-03 CN disclosed
US-20160128943-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS KVK-Tech, Inc. (US) 2016-05-12 US disclosed
EP-1718312-B1 Pharmaceutical compositions comprising hops extract derivatives and caffeine METAPROTEOMICS LLC (US) 2015-03-25 EP disclosed
WO-2014197601-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS KVK-Tech, Inc. (US) 2014-12-11 WO disclosed
EP-2671584-A2 Compositions and methods for treating disorders associated with salt or fluid retention Ironwood Pharmaceuticals, Inc. (US) 2013-12-11 EP disclosed
US-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2007-08-09 US disclosed
EP-1718312-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES Metaproteomics, LLC (US) 2006-11-08 EP disclosed
WO-2005084230-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2005-09-15 WO disclosed
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2005-09-01 US disclosed
EP-1558291-A2 rAAV-VECTORED RIBOZYME COMPOSITIONS AND METHODS FOR THE TREATMENT OF RETINAL DISEASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-08-03 EP disclosed
WO-2002088320-A2 rAAV-VECTORED RIBOZYME COMPOSITIONS AND METHODS FOR THE TREATMENT OF RETINAL DISEASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2002-11-07 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-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS HSD17B10 448/4885GAA 4681/4885L3MBTL1 4885/4885
US-20160128943-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS SLC18A1, RYR1, SLC6A2 HSD17B10 1621/4885GAA 1355/4885L3MBTL1 4601/4885
US-20110172253-A1 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES HMOX1, HMOX2, HPGDS HSD17B10 448/4885GAA 4681/4885L3MBTL1 4885/4885
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS HSD17B10 448/4885GAA 4681/4885L3MBTL1 4885/4885

“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.