SCHEMBL244548

SCHEMBL244548

[c]1oc2ccccc2c1-c1nccc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KIF11 P52732 1/20 0.33
ACHE P22303 1/20 0.31

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
SCHEMBL7808907 0.75 KDM4E (0.42) NOS3NOS1NOS2
SCHEMBL17702697 0.71 NOS3 (0.52) NOS3NOS1NOS2
SCHEMBL3028469 0.70 BRD4 (0.40)
SCHEMBL15397397 0.69 NOS3 (0.50) NOS3NOS1NOS2
SCHEMBL5567669 0.69 KDM4E (0.36)
SCHEMBL18729734 0.67 NOS3 (0.47) NOS3NOS1NOS2
SCHEMBL19373744 0.67 NOS3 (0.47) NOS3NOS1NOS2KIF11
SCHEMBL646759 0.66 KDM4E (0.45)
SCHEMBL7962004 0.65 NPY5R (0.44) NOS3NOS1NOS2
SCHEMBL17702701 0.65 NOS3 (0.45) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943481-B1 (HETERO)ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS GILEAD SCIENCES INC (US) 2018-05-02 EP claimed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 EP disclosed
US-12030903-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
EP-4310087-B1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2024-07-03 EP disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-12024571-B2 Anti-erythropoietin receptor peptide EPO-MED INC. (JP) 2024-07-02 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
WO-2013109972-A2 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-07-25 WO disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 WO disclosed
WO-2013016206-A1 ANTI-BIOFILM COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-31 WO disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
WO-2012145728-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2012-10-26 WO disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (8 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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A NOS3 510/4885NOS1 833/4885NOS2 1081/4885
US-12030903-B2 Antiviral compounds EIF2AK2, MAVS, DUT NOS3 1644/4885NOS1 2546/4885NOS2 2678/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R NOS3 4175/4885NOS1 4338/4885NOS2 4349/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C NOS3 874/4885NOS1 1135/4885NOS2 789/4885
US-12024571-B2 Anti-erythropoietin receptor peptide EPOR, PRLHR, AVPR1A NOS3 2059/4885NOS1 2448/4885NOS2 2308/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 NOS3 634/4885NOS1 380/4885NOS2 290/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885NOS2 1901/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD NOS3 1232/4885NOS1 2235/4885NOS2 1346/4885

“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.