SCHEMBL2679599

SCHEMBL2679599

O=C(O)c1cn(C2CCCCC2)c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 1/20 0.58
LMNA P02545 2/20 0.50
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
CYP1A2 P05177 1/20 0.44
TOP2A P11388 1/20 0.44
CYP2C9 P11712 1/20 0.44
TOP2B Q02880 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL3399045 0.93 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL30906932 0.93 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL30906933 0.93 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL30417603 0.86 KDM4E (0.76) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL12486470 0.82 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7121601 0.82 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL27977216 0.81 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL262202 0.80 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7127052 0.80 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL28285317 0.80 MEN1 (0.82) KDM4EMEN1KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 US disclosed
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 US disclosed
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 US disclosed
WO-2010055135-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2010-05-20 WO disclosed
US-7323596-B2 Antibacterial or antiprotozoal activity: formula (1) formula (2) wherein: Z represents a radical of formula N(OH)CH( .dbd. O) or of formula C( .dbd. O)NH(OH); R1 represents hydrogen, methyl or trifluoromethyl, or, except when Z is a radical of DE NOVO PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-20040102491-A1 Antimicrobial agents DE NOVO PHARMACEUTICALS LTD. (GB) 2004-05-27 US disclosed
EP-0494978-B1 HETEROCYCLIC COMPOUNDS WYETH JOHN & BROTHER LTD (GB) 1996-02-28 EP disclosed
US-5362734-A Certain benzo-quinolizine compounds and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 US disclosed
US-5225419-A Antagonist 5-hydroxytryptamine for treatment of nausea or vomiting JOHN WYETH & BROTHER, LIMITED (GB) 1993-07-06 US disclosed
US-5096901-A PHARMACOLOGICALLY ACTIVE AMIDES AND ESTERS CONTAINING AN AZABICYCLOALKANE MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1992-03-17 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 (2 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-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS GHRHR, GHITM, GHSR KDM4E 3518/4885MEN1 1365/4885KMT2A 3404/4885
US-20040102491-A1 Antimicrobial agents CBR1, CYC1, MRM1 KDM4E 2673/4885MEN1 2961/4885KMT2A 2623/4885

“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.