SCHEMBL6605024

SCHEMBL6605024

COC(=O)c1cc(C(N)=O)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
NQO2 P16083 5/20 0.60
DHODH Q02127 1/20 0.57
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 5/20 0.54
PKM P14618 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
PLIN1 O60240 1/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
PLIN5 Q00G26 1/20 0.54
MCL1 Q07820 1/20 0.54
ABHD5 Q8WTS1 1/20 0.54
USP2 O75604 1/20 0.53
GRM2 Q14416 5/20 0.52
MAPT P10636 2/20 0.50

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
SCHEMBL72379 0.89 KDM4E (0.70) KDM4ENQO2DHODHMEN1KMT2A
SCHEMBL5396165 0.88 KDM4E (0.68) KDM4EDHODHMEN1KMT2AALDH1A1
SCHEMBL9574610 0.84 NCOA1 (0.60) NQO2GRM2
SCHEMBL16832233 0.84 KDM4E (0.63) KDM4EDHODHMEN1KMT2AALDH1A1
SCHEMBL31295407 0.83 KDM4E (0.70) KDM4EDHODHMEN1KMT2AALDH1A1
SCHEMBL12903095 0.83 KDM4E (0.70) KDM4EDHODHMEN1KMT2AALDH1A1
SCHEMBL16832793 0.83 KDM4E (0.62) KDM4ENQO2DHODHMEN1KMT2A
SCHEMBL16833596 0.83 NQO2 (0.61) KDM4ENQO2KMT2AALDH1A1MAPK1
SCHEMBL16832253 0.83 KDM4E (0.58) KDM4EDHODHMEN1KMT2APOLB
SCHEMBL28100588 0.82 KDM4E (0.60) KDM4EDHODHMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-3172194-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
EP-3172192-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
WO-2016202935-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 KDM4E 3458/4885NQO2 338/4885DHODH 699/4885
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 KDM4E 3458/4885NQO2 338/4885DHODH 699/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 KDM4E 3214/4885NQO2 293/4885DHODH 634/4885

“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.