SCHEMBL4185769

SCHEMBL4185769

NCC(F)(F)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 15/20 0.33
F10 P00742 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRSS1 P07477 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.30

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
SCHEMBL5855697 0.81 LMNA (0.36) LMNAHTTF2F10KDM4E
SCHEMBL29427272 0.77 LMNA (0.43) LMNAHTTKDM4ETDP1ALDH1A1
SCHEMBL113414 0.77 LMNA (0.43) LMNAHTTKDM4ETDP1ALDH1A1
SCHEMBL14508590 0.73 F2 (0.32) LMNAHTTF2F10
SCHEMBL3476708 0.72 LMNA (0.46) LMNAHTTKDM4ETDP1ALDH1A1
SCHEMBL2616406 0.69 LMNA (0.48) LMNAHTTKDM4ETDP1ALDH1A1
Formic Acid SCHEMBL30297733 0.68 LMNA (0.35) LMNAHTTF2KDM4ETDP1
SCHEMBL30630362 0.65 LMNA (0.40) LMNAHTTKDM4ETDP1ALDH1A1
SCHEMBL6640541 0.65 LMNA (0.40) LMNAHTTKDM4ETDP1ALDH1A1
SCHEMBL4193811 0.65 S1PR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131668-A1 4-oxo-4,6,7,8-Tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATOIRES SERVIER (FR) 2009-05-21 US disclosed
US-7498330-B2 4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATORIES SERVIER (FR) 2009-03-03 US disclosed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US disclosed
EP-1593682-B1 Derivatives of 4-oxo-4,6,7,8-tetrahydropyrrolo¬1,2-a pyrazine-6-carboxamides, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2007-11-07 EP disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
EP-1765817-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
WO-2006002829-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
EP-1526131-A1 Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-04-27 EP disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
US-20030225131-A1 Thrombin inhibitors BURGEY CHRISTOPHER S (US) 2003-12-04 US disclosed
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 US disclosed
EP-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002057225-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-07-25 WO disclosed
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 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 (5 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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 LMNA 4332/4885HTT 3320/4885F2 2/4885
US-20030225131-A1 Thrombin inhibitors TFPI, SERPINC1, PLAT LMNA 4157/4885HTT 1856/4885F2 5/4885
US-20090131668-A1 4-oxo-4,6,7,8-Tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds F2, TBXA2R, PDGFRA LMNA 4143/4885HTT 1958/4885F2 1/4885
US-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI LMNA 3043/4885HTT 1138/4885F2 1/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 LMNA 1027/4885HTT 4348/4885F2 1/4885

“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.