SCHEMBL6173497

SCHEMBL6173497

Nc1cccc(C(=O)C2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.57
PBRM1 Q86U86 1/20 0.53
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
DDX3X O00571 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
Bicarbonate SCHEMBL11473808 0.96 MGLL (0.55) MGLLPBRM1NPC1MITFLMNA
SCHEMBL5210688 0.90 MEN1 (0.53) MGLLPBRM1NPC1MITFLMNA
SCHEMBL8953828 0.88 MGLL (0.51) MGLLPBRM1NPC1MITFLMNA
Hydrochloric Acid SCHEMBL5216120 0.88 MEN1 (0.55) MGLLPBRM1NPC1MITFLMNA
SCHEMBL14067799 0.86 NPSR1 (0.49) MGLLNPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL4223030 0.85 MGLL (0.59) MGLLPBRM1NPSR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5212124 0.84 MGLL (0.57) MGLLNPSR1CHRNB2CHRNA4
SCHEMBL5242511 0.83 MGLL (0.47) MGLLPBRM1NPC1MITFLMNA
SCHEMBL8849948 0.81 PBRM1 (0.46) MGLLPBRM1NPC1MITFLMNA
SCHEMBL12202677 0.79 SMN1; SMN2 (0.44) MGLLNPC1SMN1; SMN2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834236-B1 HETEROCYCLYL COMPOUNDS LUPIN LTD (IN) 2019-05-22 EP disclosed
EP-2834236-B1 HETEROCYCLYL COMPOUNDS LUPIN LTD (IN) 2019-05-22 EP disclosed
US-9827247-B2 Heterocyclyl compounds LUPIN LIMITED (IN) 2017-11-28 US disclosed
US-9827247-B2 Heterocyclyl compounds LUPIN LIMITED (IN) 2017-11-28 US disclosed
US-9827247-B2 Heterocyclyl compounds LUPIN LIMITED (IN) 2017-11-28 US disclosed
US-20170112840-A1 HETEROCYCLYL COMPOUNDS LUPIN LIMITED (IN) 2017-04-27 US disclosed
US-20170112840-A1 HETEROCYCLYL COMPOUNDS LUPIN LIMITED (IN) 2017-04-27 US disclosed
US-20170112840-A1 HETEROCYCLYL COMPOUNDS LUPIN LIMITED (IN) 2017-04-27 US disclosed
US-9573944-B2 Heterocyclyl compounds LUPIN LIMITED (IN) 2017-02-21 US disclosed
US-9573944-B2 Heterocyclyl compounds LUPIN LIMITED (IN) 2017-02-21 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
CN-1150424-A Compounds for the treatment of retroviral infections UPJOHN CO (US) 1997-05-21 CN disclosed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP disclosed
CN-1117291-A 4-Hydroxy-pyran-2-one derivatives for the treatment of retroviral infections UPJOHN CO (US) 1996-02-21 CN disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 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 (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-20170112840-A1 HETEROCYCLYL COMPOUNDS NRAS, MAP3K11, MAP3K1 MGLL 4327/4885PBRM1 629/4885NPC1 1640/4885

“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.